(1S,5aR,5bR,7aR,9E,11aR,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-9-[[2,4,5-tris(chloranyl)phenyl]hydrazinylidene]-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Systemtic Name: (1S,5aR,5bR,7aR,9E,11aR,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-9-[[2,4,5-tris(chloranyl)phenyl]hydrazinylidene]-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid Openeye Name: (1S,5aR,5bR,7aR,9E,11aR,11bR,13bR)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-9-[(2,4,5-trichlorophenyl)hydrazono]-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid CAS Name: (1S,5aR,5bR,7aR,9E,11aR,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-9-[(2,4,5-trichlorophenyl)hydrazinylidene]-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid IUPAC Name: (1S,5aR,5bR,7aR,9E,11aR,11bR,13bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-9-[(2,4,5-trichlorophenyl)hydrazinylidene]-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid Traditional Name: (1S,5aR,5bR,7aR,9E,11aR,11bR,13bR)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-9-[(2,4,5-trichlorophenyl)hydrazono]-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid Formula: C36H51Cl3N2O2 MolecularWeight: 650.16134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2(C1C3CCC4C5(CCC(=NNC6=CC(=C(C=C6Cl)Cl)Cl)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O

Isomeric SMILES

CC(C)[C@@H]1CCC2([C@H]1C3CC[C@@H]4[C@]5(CC/C(=N\NC6=CC(=C(C=C6Cl)Cl)Cl)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O

InChI

InChI=1S/C36H51Cl3N2O2/c1-20(2)21-10-15-36(31(42)43)17-16-34(6)22(30(21)36)8-9-28-33(5)13-12-29(32(3,4)27(33)11-14-35(28,34)7)41-40-26-19-24(38)23(37)18-25(26)39/h18-22,27-28,30,40H,8-17H2,1-7H3,(H,42,43)/b41-29+/t21-,22?,27-,28+,30+,33-,34+,35+,36?/m0/s1