[5-ethoxy-1-(4-octylphenyl)-5-oxidanylidene-pentyl] benzoate

Systemtic Name: [5-ethoxy-1-(4-octylphenyl)-5-oxidanylidene-pentyl] benzoate Openeye Name: [5-ethoxy-1-(4-octylphenyl)-5-oxo-pentyl] benzoate CAS Name: benzoic acid [5-ethoxy-1-(4-octylphenyl)-5-oxopentyl] ester IUPAC Name: [5-ethoxy-1-(4-octylphenyl)-5-oxopentyl] benzoate Traditional Name: benzoic acid [5-ethoxy-5-keto-1-(4-octylphenyl)pentyl] ester Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(CCCC(=O)OCC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(CCCC(=O)OCC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H38O4/c1-3-5-6-7-8-10-14-23-19-21-24(22-20-23)26(17-13-18-27(29)31-4-2)32-28(30)25-15-11-9-12-16-25/h9,11-12,15-16,19-22,26H,3-8,10,13-14,17-18H2,1-2H3