10,13-dimethyl-2-[7-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]heptyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 10,13-dimethyl-2-[7-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]heptyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 10,13-dimethyl-2-[7-(4,4,5,5,5-pentafluoropentylsulfanyl)heptyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 10,13-dimethyl-2-[7-(4,4,5,5,5-pentafluoropentylthio)heptyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 10,13-dimethyl-2-[7-(4,4,5,5,5-pentafluoropentylsulfanyl)heptyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 10,13-dimethyl-2-[7-(4,4,5,5,5-pentafluoropentylthio)heptyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C31H47F5OS MolecularWeight: 562.761296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C3CCC4=CC(=O)C(CC4(C3CC2)C)CCCCCCCSCCCC(C(F)(F)F)(F)F

Isomeric SMILES

CC12CCCC1C3CCC4=CC(=O)C(CC4(C3CC2)C)CCCCCCCSCCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C31H47F5OS/c1-28-15-8-11-25(28)24-13-12-23-20-27(37)22(21-29(23,2)26(24)14-17-28)10-6-4-3-5-7-18-38-19-9-16-30(32,33)31(34,35)36/h20,22,24-26H,3-19,21H2,1-2H3