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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(3-heptoxycyclohexyl)carbonyloxybenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(3-heptoxycyclohexanecarbonyl)oxybenzoate CAS Name: 4-[(3-heptoxycyclohexyl)-oxomethoxy]benzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(3-heptoxycyclohexanecarbonyl)oxybenzoate Traditional Name: 4-(3-heptoxycyclohexanecarbonyl)oxybenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C28H31F2NO5 MolecularWeight: 499.546246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1CCCC(C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCOC1CCCC(C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C28H31F2NO5/c1-2-3-4-5-6-16-34-23-9-7-8-20(17-23)28(33)35-22-13-10-19(11-14-22)27(32)36-24-15-12-21(18-31)25(29)26(24)30/h10-15,20,23H,2-9,16-17H2,1H3