methyl 2-(4-nonylphenyl)-6-oxidanylidene-hexanoate

Systemtic Name: methyl 2-(4-nonylphenyl)-6-oxidanylidene-hexanoate Openeye Name: methyl 2-(4-nonylphenyl)-6-oxo-hexanoate CAS Name: 2-(4-nonylphenyl)-6-oxohexanoic acid methyl ester IUPAC Name: methyl 2-(4-nonylphenyl)-6-oxohexanoate Traditional Name: 6-keto-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCC=O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCC=O)C(=O)OC

InChI

InChI=1S/C22H34O3/c1-3-4-5-6-7-8-9-12-19-14-16-20(17-15-19)21(22(24)25-2)13-10-11-18-23/h14-18,21H,3-13H2,1-2H3