[4-cyano-2,3-bis(fluoranyl)-6-(phenylcarbonyloxy)phenyl] 4-octoxybenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)-6-(phenylcarbonyloxy)phenyl] 4-octoxybenzoate Openeye Name: (6-benzoyloxy-4-cyano-2,3-difluoro-phenyl) 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid (6-benzoyloxy-4-cyano-2,3-difluorophenyl) ester IUPAC Name: (6-benzoyloxy-4-cyano-2,3-difluorophenyl) 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid (6-benzoyloxy-4-cyano-2,3-difluoro-phenyl) ester Formula: C29H27F2NO5 MolecularWeight: 507.525186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C(=C2F)F)C#N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C(=C2F)F)C#N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H27F2NO5/c1-2-3-4-5-6-10-17-35-23-15-13-21(14-16-23)29(34)37-27-24(18-22(19-32)25(30)26(27)31)36-28(33)20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17H2,1H3