2-(dioxidanyl)-17-(fluoranylmethylsulfanyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 2-(dioxidanyl)-17-(fluoranylmethylsulfanyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 17-(fluoromethylsulfanyl)-2-hydroperoxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 17-(fluoromethylthio)-2-hydroperoxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 17-(fluoromethylsulfanyl)-2-hydroperoxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 17-(fluoromethylthio)-2-hydroperoxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C20H29FO3S MolecularWeight: 368.505863

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2SCF)CCC4=CC(=O)C(CC34C)OO

Isomeric SMILES

CC12CCC3C(C1CCC2SCF)CCC4=CC(=O)C(CC34C)OO

InChI

InChI=1S/C20H29FO3S/c1-19-8-7-15-13(14(19)5-6-18(19)25-11-21)4-3-12-9-16(22)17(24-23)10-20(12,15)2/h9,13-15,17-18,23H,3-8,10-11H2,1-2H3