[1-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]azetidin-3-yl] octane-1-sulfonate

Systemtic Name: [1-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]azetidin-3-yl] octane-1-sulfonate Openeye Name: [1-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]azetidin-3-yl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [1-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]azetidin-3-yl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [1-[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]azetidin-3-yl] ester Formula: C38H69NO3S MolecularWeight: 620.02436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1CN(C1)C2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1CN(C1)C2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C

InChI

InChI=1S/C38H69NO3S/c1-7-8-9-10-11-12-24-43(40,41)42-32-26-39(27-32)31-20-22-37(5)30(25-31)16-17-33-35-19-18-34(29(4)15-13-14-28(2)3)38(35,6)23-21-36(33)37/h28-36H,7-27H2,1-6H3