[2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-(3-fluoranyl-4-hexyl-phenyl)benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-heptoxy-phenyl] 4-(3-fluoranyl-4-hexyl-phenyl)benzoate Openeye Name: (2,3-difluoro-4-heptoxy-phenyl) 4-(3-fluoro-4-hexyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-hexylphenyl)benzoic acid (2,3-difluoro-4-heptoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-heptoxyphenyl) 4-(3-fluoro-4-hexylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-hexyl-phenyl)benzoic acid (2,3-difluoro-4-heptoxy-phenyl) ester Formula: C32H37F3O3 MolecularWeight: 526.62959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCCC)F)F)F

InChI

InChI=1S/C32H37F3O3/c1-3-5-7-9-11-21-37-28-19-20-29(31(35)30(28)34)38-32(36)25-16-13-23(14-17-25)26-18-15-24(27(33)22-26)12-10-8-6-4-2/h13-20,22H,3-12,21H2,1-2H3