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

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-heptoxybenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C28H25F2NO5 MolecularWeight: 493.498606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=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

CCCCCCCOC1=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/C28H25F2NO5/c1-2-3-4-5-6-17-34-22-12-7-19(8-13-22)27(32)35-23-14-9-20(10-15-23)28(33)36-24-16-11-21(18-31)25(29)26(24)30/h7-16H,2-6,17H2,1H3