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

Systemtic Name: [2-(4-hexylphenyl)-2-oxidanylidene-ethyl] 4-heptylbenzoate Openeye Name: [2-(4-hexylphenyl)-2-oxo-ethyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [2-(4-hexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-hexylphenyl)-2-oxoethyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [2-(4-hexylphenyl)-2-keto-ethyl] ester Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C28H38O3/c1-3-5-7-9-11-13-24-16-20-26(21-17-24)28(30)31-22-27(29)25-18-14-23(15-19-25)12-10-8-6-4-2/h14-21H,3-13,22H2,1-2H3