methyl 4-(4-heptylphenyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-heptylphenyl)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(4-heptylphenyl)-3-oxo-butanoate CAS Name: 4-(4-heptylphenyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-heptylphenyl)-3-oxobutanoate Traditional Name: 4-(4-heptylphenyl)-3-keto-butyric acid methyl ester Formula: C18H26O3 MolecularWeight: 290.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CC(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CC(=O)CC(=O)OC

InChI

InChI=1S/C18H26O3/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)13-17(19)14-18(20)21-2/h9-12H,3-8,13-14H2,1-2H3