6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(3-methylthiophen-2-yl)carbonyloxy-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: 6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(3-methylthiophen-2-yl)carbonyloxy-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(3-methylthiophene-2-carbonyl)oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-[(3-methyl-2-thiophenyl)-oxomethoxy]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(3-methylthiophene-2-carbonyl)oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: 6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-(3-methylthiophene-2-carbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C27H30F2O5S2 MolecularWeight: 536.650906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=C(C=CS5)C)C)O)F)C)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=C(C=CS5)C)C)O)F)C)F

InChI

InChI=1S/C27H30F2O5S2/c1-13-6-8-36-21(13)22(32)34-27(23(33)35)14(2)9-16-17-11-19(28)18-10-15(30)5-7-24(18,3)26(17,29)20(31)12-25(16,27)4/h5-8,10,14,16-17,19-20,31H,9,11-12H2,1-4H3,(H,33,35)