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

Systemtic Name: sodium (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoate Openeye Name: sodium (3S)-3-benzyl-4-methoxy-4-oxo-butanoate CAS Name: sodium (3S)-4-methoxy-4-oxo-3-(phenylmethyl)butanoate IUPAC Name: sodium (3S)-3-benzyl-4-methoxy-4-oxobutanoate Traditional Name: sodium (3S)-3-benzyl-4-keto-4-methoxy-butyrate Formula: C12H13NaO4 MolecularWeight: 244.21899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)[O-].[Na+]

InChI

InChI=1S/C12H14O4.Na/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);/q;+1/p-1/t10-;/m0./s1