(4-heptylphenyl) 2,3-bis(fluoranyl)-4-(4-propoxyphenyl)benzoate

Systemtic Name: (4-heptylphenyl) 2,3-bis(fluoranyl)-4-(4-propoxyphenyl)benzoate Openeye Name: (4-heptylphenyl) 2,3-difluoro-4-(4-propoxyphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-propoxyphenyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2,3-difluoro-4-(4-propoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(4-propoxyphenyl)benzoic acid (4-heptylphenyl) ester Formula: C29H32F2O3 MolecularWeight: 466.559386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)F)F

InChI

InChI=1S/C29H32F2O3/c1-3-5-6-7-8-9-21-10-14-24(15-11-21)34-29(32)26-19-18-25(27(30)28(26)31)22-12-16-23(17-13-22)33-20-4-2/h10-19H,3-9,20H2,1-2H3