4-ethoxy-3-oxidanyl-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: 4-ethoxy-3-oxidanyl-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 2-benzyl-4-ethoxy-3-hydroxy-4-oxo-butanoate CAS Name: 4-ethoxy-3-hydroxy-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: 2-benzyl-4-ethoxy-3-hydroxy-4-oxobutanoate Traditional Name: 2-benzyl-4-ethoxy-3-hydroxy-4-keto-butyrate Formula: C13H15O5- MolecularWeight: 251.2552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-2-18-13(17)11(14)10(12(15)16)8-9-6-4-3-5-7-9/h3-7,10-11,14H,2,8H2,1H3,(H,15,16)/p-1