2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-2-[4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)heptyl]decanoic acid

Systemtic Name: 2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-2-[4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)heptyl]decanoic acid Openeye Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid CAS Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid IUPAC Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)decanoic acid Traditional Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl)-2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)capric acid Formula: C35H47F9O4 MolecularWeight: 702.730909

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3)C)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3)C)O)C(=O)O

InChI

InChI=1S/C35H47F9O4/c1-3-4-5-6-7-8-15-31(29(47)48,16-9-17-32(36,37)33(38,39)34(40,41)35(42,43)44)26-20-21-19-22(45)10-11-23(21)24-14-18-30(2)25(28(24)26)12-13-27(30)46/h10-11,19,24-28,45-46H,3-9,12-18,20H2,1-2H3,(H,47,48)