2-carbonochloridoylbenzoic acid; 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: 2-carbonochloridoylbenzoic acid; 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: 2-chlorocarbonylbenzoic acid; 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: 2-carbonochloridoylbenzoic acid; 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: 2-carbonochloridoylbenzoic acid; 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: 2-chlorocarbonylbenzoic acid; 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C59H66Cl4O13 MolecularWeight: 1124.95954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl.C1=CC=C(C(=C1)C(=O)O)C(=O)Cl

InChI

InChI=1S/C27H46O.4C8H5ClO3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;4*9-7(10)5-3-1-2-4-6(5)8(11)12/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3;4*1-4H,(H,11,12)