2,6-bis(fluoranyl)-4-[4-(4-octylcyclohexyl)cyclohexyl]-3-[3,4,5-tris(fluoranyl)phenyl]benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-4-[4-(4-octylcyclohexyl)cyclohexyl]-3-[3,4,5-tris(fluoranyl)phenyl]benzoic acid Openeye Name: 2,6-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]-3-(3,4,5-trifluorophenyl)benzoic acid CAS Name: 2,6-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]-3-(3,4,5-trifluorophenyl)benzoic acid IUPAC Name: 2,6-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]-3-(3,4,5-trifluorophenyl)benzoic acid Traditional Name: 2,6-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]-3-(3,4,5-trifluorophenyl)benzoic acid Formula: C33H41F5O2 MolecularWeight: 564.669456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3C4=CC(=C(C(=C4)F)F)F)F)C(=O)O)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3C4=CC(=C(C(=C4)F)F)F)F)C(=O)O)F

InChI

InChI=1S/C33H41F5O2/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25-19-26(34)30(33(39)40)32(38)29(25)24-17-27(35)31(37)28(36)18-24/h17-23H,2-16H2,1H3,(H,39,40)