[2-(4-hexylphenyl)-2-oxidanylidene-ethyl] 4-octoxybenzoate

Systemtic Name: [2-(4-hexylphenyl)-2-oxidanylidene-ethyl] 4-octoxybenzoate Openeye Name: [2-(4-hexylphenyl)-2-oxo-ethyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [2-(4-hexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-hexylphenyl)-2-oxoethyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [2-(4-hexylphenyl)-2-keto-ethyl] ester Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4/c1-3-5-7-9-10-12-22-32-27-20-18-26(19-21-27)29(31)33-23-28(30)25-16-14-24(15-17-25)13-11-8-6-4-2/h14-21H,3-13,22-23H2,1-2H3