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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-hexylphenyl)benzoate Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-hexylphenyl)benzoate CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-hexylphenyl)benzoate IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-hexylphenyl)benzoate Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-hexylphenyl)benzoate Formula: C32H37F2O3- MolecularWeight: 507.631186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CCCCCC)C(=O)[O-])F)F

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CCCCCC)C(=O)[O-])F)F

InChI

InChI=1S/C32H38F2O3/c1-3-5-7-9-11-21-37-29-20-19-26(30(33)31(29)34)28-22-25(17-18-27(28)32(35)36)24-15-13-23(14-16-24)12-10-8-6-4-2/h13-20,22H,3-12,21H2,1-2H3,(H,35,36)/p-1