methyl 2-(4-octylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 2-(4-octylphenyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 2-(4-octylphenyl)-5-oxo-pentanoate CAS Name: 2-(4-octylphenyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(4-octylphenyl)-5-oxopentanoate Traditional Name: 5-keto-2-(4-octylphenyl)valeric acid methyl ester Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(CCC=O)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(CCC=O)C(=O)OC

InChI

InChI=1S/C20H30O3/c1-3-4-5-6-7-8-10-17-12-14-18(15-13-17)19(11-9-16-21)20(22)23-2/h12-16,19H,3-11H2,1-2H3