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

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-hexoxybenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C27H23F2NO5 MolecularWeight: 479.472026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C27H23F2NO5/c1-2-3-4-5-16-33-21-11-6-18(7-12-21)26(31)34-22-13-8-19(9-14-22)27(32)35-23-15-10-20(17-30)24(28)25(23)29/h6-15H,2-5,16H2,1H3