10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: 10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: 10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: 10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: 10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: 3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C20H28O2S MolecularWeight: 332.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)S)CCC4=CC(=O)CCC34C

Isomeric SMILES

CC12CCC3C(C1CCC2C(=O)S)CCC4=CC(=O)CCC34C

InChI

InChI=1S/C20H28O2S/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)