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

Systemtic Name: [4-[4-cyano-2,3-bis(fluoranyl)phenoxy]carbonylphenyl] 4-hexylbenzoate Openeye Name: [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(4-cyano-2,3-difluorophenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-cyano-2,3-difluorophenoxy)carbonylphenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(4-cyano-2,3-difluoro-phenoxy)carbonylphenyl] ester Formula: C27H23F2NO4 MolecularWeight: 463.472626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C27H23F2NO4/c1-2-3-4-5-6-18-7-9-19(10-8-18)26(31)33-22-14-11-20(12-15-22)27(32)34-23-16-13-21(17-30)24(28)25(23)29/h7-16H,2-6H2,1H3