heptan-2-yl 2-(4-methylphenyl)-2-oxidanylidene-ethanoate

Systemtic Name: heptan-2-yl 2-(4-methylphenyl)-2-oxidanylidene-ethanoate Openeye Name: 1-methylhexyl 2-oxo-2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)-2-oxoacetic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 2-(4-methylphenyl)-2-oxoacetate Traditional Name: 2-keto-2-(p-tolyl)acetic acid 1-methylhexyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCC(C)OC(=O)C(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H22O3/c1-4-5-6-7-13(3)19-16(18)15(17)14-10-8-12(2)9-11-14/h8-11,13H,4-7H2,1-3H3