4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butanoate CAS Name: 4-(4-methoxy-2,5-dimethylphenyl)-4-oxobutanoate IUPAC Name: 4-(4-methoxy-2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-2,5-dimethyl-phenyl)butyrate Formula: C13H15O4- MolecularWeight: 235.2558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CCC(=O)[O-])C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CCC(=O)[O-])C)OC

InChI

InChI=1S/C13H16O4/c1-8-7-12(17-3)9(2)6-10(8)11(14)4-5-13(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)/p-1