[4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-heptylbenzoate

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-heptylbenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C28H25F2NO4 MolecularWeight: 477.499206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C28H25F2NO4/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)27(32)34-23-15-12-21(13-16-23)28(33)35-24-17-14-22(18-31)25(29)26(24)30/h8-17H,2-7H2,1H3