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

Systemtic Name: 4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoate Openeye Name: 3-benzyl-4-methoxy-4-oxo-butanoate CAS Name: 4-methoxy-4-oxo-3-(phenylmethyl)butanoate IUPAC Name: 3-benzyl-4-methoxy-4-oxobutanoate Traditional Name: 3-benzyl-4-keto-4-methoxy-butyrate Formula: C12H13O4- MolecularWeight: 221.22922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CC(=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)CC(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-16-12(15)10(8-11(13)14)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)/p-1