(phenylmethyl) 2-oxidanylideneethanoate hydrate

Systemtic Name: (phenylmethyl) 2-oxidanylideneethanoate hydrate Openeye Name: benzyl 2-oxoacetate hydrate CAS Name: 2-oxoacetic acid (phenylmethyl) ester hydrate IUPAC Name: benzyl 2-oxoacetate hydrate Traditional Name: 2-ketoacetic acid benzyl ester hydrate Formula: C9H10O4 MolecularWeight: 182.1733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3.H2O/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-6H,7H2;1H2