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

Systemtic Name: 3-methoxy-2-[(2-methylphenyl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-methoxy-2-(o-tolylmethyl)-3-oxo-propanoic acid CAS Name: 3-methoxy-2-[(2-methylphenyl)methyl]-3-oxopropanoic acid IUPAC Name: 3-methoxy-2-[(2-methylphenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-methoxy-2-(2-methylbenzyl)propionic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-8-5-3-4-6-9(8)7-10(11(13)14)12(15)16-2/h3-6,10H,7H2,1-2H3,(H,13,14)