2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-2-[6,6,7,7,7-pentakis(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-[6,6,7,7,7-pentakis(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-(6,6,7,7,7-pentafluoroheptyl)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-(6,6,7,7,7-pentafluoroheptyl)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-(6,6,7,7,7-pentafluoroheptyl)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-(6,6,7,7,7-pentafluoroheptyl)capric acid Formula: C35H51F5O4 MolecularWeight: 630.769056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51F5O4/c1-3-4-5-6-7-9-17-33(31(43)44,18-10-8-11-19-34(36,37)35(38,39)40)28-22-23-21-24(41)12-13-25(23)26-16-20-32(2)27(30(26)28)14-15-29(32)42/h12-13,21,26-30,41-42H,3-11,14-20,22H2,1-2H3,(H,43,44)