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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-octoxyphenyl)benzoic acid Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-octoxyphenyl)benzoic acid CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-octoxyphenyl)benzoic acid IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-octoxyphenyl)benzoic acid Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-octoxyphenyl)benzoic acid Formula: C34H42F2O4 MolecularWeight: 552.691686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=C(C(=C(C=C3)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=C(C(=C(C=C3)OCCCCCCC)F)F

InChI

InChI=1S/C34H42F2O4/c1-3-5-7-9-11-12-22-39-27-17-14-25(15-18-27)26-16-19-29(34(37)38)30(24-26)28-20-21-31(33(36)32(28)35)40-23-13-10-8-6-4-2/h14-21,24H,3-13,22-23H2,1-2H3,(H,37,38)