4-methoxy-3-[(2-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-methoxy-3-[(2-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-methoxy-3-(o-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-methoxy-3-[(2-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-methoxy-3-[(2-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-methoxy-3-(2-methylbenzyl)butyric acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CC(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC(CC(=O)O)C(=O)OC

InChI

InChI=1S/C13H16O4/c1-9-5-3-4-6-10(9)7-11(8-12(14)15)13(16)17-2/h3-6,11H,7-8H2,1-2H3,(H,14,15)