[2-(4-hexylphenyl)-2-oxidanylidene-ethyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [2-(4-hexylphenyl)-2-oxidanylidene-ethyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-hexylphenyl)-2-oxo-ethyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [2-(4-hexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-hexylphenyl)-2-oxoethyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [2-(4-hexylphenyl)-2-keto-ethyl] ester Formula: C29H39FO4 MolecularWeight: 470.615963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCCCC)F

InChI

InChI=1S/C29H39FO4/c1-3-5-7-9-10-12-20-33-28-19-18-25(21-26(28)30)29(32)34-22-27(31)24-16-14-23(15-17-24)13-11-8-6-4-2/h14-19,21H,3-13,20,22H2,1-2H3