2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-octylphenyl)benzoic acid

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-octylphenyl)benzoic acid Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-octylphenyl)benzoic acid CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-octylphenyl)benzoic acid IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-octylphenyl)benzoic acid Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-octylphenyl)benzoic acid Formula: C34H42F2O3 MolecularWeight: 536.692286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=C(C(=C(C=C3)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=C(C(=C(C=C3)OCCCCCCC)F)F

InChI

InChI=1S/C34H42F2O3/c1-3-5-7-9-10-12-14-25-15-17-26(18-16-25)27-19-20-29(34(37)38)30(24-27)28-21-22-31(33(36)32(28)35)39-23-13-11-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3,(H,37,38)