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CAS No.:Untitled Document-1   ChemDraw08272613462D   52 55  0  0  0  0  0  0  0  0999 V2000     4.1051   -2.6829    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0     0.3155   -1.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     1.0299   -1.8891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0     1.7444   -1.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     2.4472   -1.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.2427   -1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.9473   -1.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0     4.6504   -1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     5.3552   -1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     6.0593   -1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     6.7738   -1.9031    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0     7.4883   -1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     6.0589   -0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     5.3537   -0.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     4.6504   -0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.9526   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.9526    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     4.6600    1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     4.6634    2.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.9453    2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.2315    2.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     3.2380    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     2.5236    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     2.5236    0.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0     1.8091    1.4337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0     1.0946    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     0.3802    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -0.3343    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -1.0488    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -1.7632    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -2.4777    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -3.1922    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -3.9067    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -4.6211    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -5.3356    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -6.0501    1.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -6.7785    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -7.4807    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -8.1952    1.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0    -7.4883    0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -6.7567   -0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -6.0519    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -5.3374   -0.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0     3.2445   -0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     2.4494   -0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     1.7478   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -0.3990   -1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     1.0334   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     6.7734   -0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0     8.2028   -1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -6.7567   -1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0    -8.2028   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0   2  3  1  0         3  4  1  0         4  5  2  0         5  6  1  0         6  7  1  0         7  8  1  0         8  9  2  0         9 10  1  0        10 11  2  0        11 12  1  0        10 13  1  0        13 14  2  0        14 15  1  0        15  8  1  0        15 16  2  0        16 17  1  0        17 18  2  0        18 19  1  0        19 20  2  0        20 21  1  0        21 22  2  0        22 17  1  0        22 23  1  0        23 24  2  0        23 25  1  0        25 26  1  0        26 27  1  0        27 28  1  0        28 29  1  0        29 30  1  0        30 31  1  0        31 32  1  0        32 33  1  0        33 34  1  0        34 35  1  0        35 36  1  0        36 37  2  0        37 38  1  0        38 39  1  0        38 40  2  0        40 41  1  0        41 42  2  0        42 36  1  0        42 43  1  0        16 44  1  0        44  6  2  0        44 45  1  0        45 46  2  0        46  4  1  0         2 47  1  0        46 48  1  0        13 49  1  0        12 50  1  0        41 51  1  0        40 52  1  0       M  CHG  2   1  -1  11   1 M  END,SkQR1

SkQR1

Untitled Document-1 ChemDraw08272613462D 52 55 0 0 0 0 0 0 0 0999 V2000 4.1051 -2.6829 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3155 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -1.8891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 -1.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6504 -1.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 -1.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7738 -1.9031 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4883 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0589 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 -0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6504 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 2.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7632 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9067 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3356 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0501 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7785 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4807 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1952 1.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4883 0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7567 -0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0519 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -0.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2445 -0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 -0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -1.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 -1.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7567 -1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2028 -0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 8 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 2 0 42 36 1 0 42 43 1 0 16 44 1 0 44 6 2 0 44 45 1 0 45 46 2 0 46 4 1 0 2 47 1 0 46 48 1 0 13 49 1 0 12 50 1 0 41 51 1 0 40 52 1 0 M CHG 2 1 -1 11 1 M END

691.92 17.01

C44H55N2O5 HO

C1220329

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