6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: 6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propanoyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-oxopropoxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: 6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-propionyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C24H32F2O5S MolecularWeight: 470.569686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)CCC43C)F)F)O)C)C)C(=O)S

Isomeric SMILES

CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)CCC43C)F)F)O)C)C)C(=O)S

InChI

InChI=1S/C24H32F2O5S/c1-5-19(29)31-24(20(30)32)12(2)8-14-15-10-17(25)16-9-13(27)6-7-21(16,3)23(15,26)18(28)11-22(14,24)4/h9,12,14-15,17-18,28H,5-8,10-11H2,1-4H3,(H,30,32)