[(13S,17S)-13-methyl-3-oxidanylidene-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(13S,17S)-13-methyl-3-oxidanylidene-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(13S,17S)-13-methyl-3-oxo-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(13S,17S)-13-methyl-3-oxo-7-[9-(4,4,5,5,5-pentafluoropentylthio)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(13S,17S)-13-methyl-3-oxo-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(13S,17S)-3-keto-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylthio)nonyl]-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C34H51F5O3S MolecularWeight: 634.823956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)C

Isomeric SMILES

CC(=O)O[C@H]1CCC2[C@@]1(CCC3C2C(CC4=CC(=O)CCC34)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)C

InChI

InChI=1S/C34H51F5O3S/c1-23(40)42-30-15-14-29-31-24(21-25-22-26(41)12-13-27(25)28(31)16-18-32(29,30)2)11-8-6-4-3-5-7-9-19-43-20-10-17-33(35,36)34(37,38)39/h22,24,27-31H,3-21H2,1-2H3/t24?,27?,28?,29?,30-,31?,32-/m0/s1