(phenylmethyl) 3-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 3-oxidanyl-4-oxidanylidene-butanoate Openeye Name: benzyl 3-hydroxy-4-oxo-butanoate CAS Name: 3-hydroxy-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-4-oxobutanoate Traditional Name: 3-hydroxy-4-keto-butyric acid benzyl ester Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C=O)O

InChI

InChI=1S/C11H12O4/c12-7-10(13)6-11(14)15-8-9-4-2-1-3-5-9/h1-5,7,10,13H,6,8H2