[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexylcyclohexyl)carbonyloxybenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexylcyclohexyl)carbonyloxybenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-hexylcyclohexanecarbonyl)oxybenzoate CAS Name: 4-[(4-hexylcyclohexyl)-oxomethoxy]benzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-hexylcyclohexanecarbonyl)oxybenzoate Traditional Name: 4-(4-hexylcyclohexanecarbonyl)oxybenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C27H29F2NO4 MolecularWeight: 469.520266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C27H29F2NO4/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/h11-16,18-19H,2-10H2,1H3