2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-2-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]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-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)capric acid Formula: C34H45F9O4 MolecularWeight: 688.704329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC(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(CCC(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/C34H45F9O4/c1-3-4-5-6-7-8-14-30(28(46)47,16-17-31(35,36)32(37,38)33(39,40)34(41,42)43)25-19-20-18-21(44)9-10-22(20)23-13-15-29(2)24(27(23)25)11-12-26(29)45/h9-10,18,23-27,44-45H,3-8,11-17,19H2,1-2H3,(H,46,47)