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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-heptylphenyl)benzoic acid Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-heptylphenyl)benzoic acid CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-heptylphenyl)benzoic acid IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-heptylphenyl)benzoic acid Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-heptylphenyl)benzoic acid Formula: C33H40F2O3 MolecularWeight: 522.665706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=C(C(=C(C=C3)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=C(C(=C(C=C3)OCCCCCCC)F)F

InChI

InChI=1S/C33H40F2O3/c1-3-5-7-9-11-13-24-14-16-25(17-15-24)26-18-19-28(33(36)37)29(23-26)27-20-21-30(32(35)31(27)34)38-22-12-10-8-6-4-2/h14-21,23H,3-13,22H2,1-2H3,(H,36,37)