2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(3-methoxy-3-oxo-propyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(3-methoxy-3-oxopropyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-methoxy-3-oxopropyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-keto-3-methoxy-propyl)thio]-2-phenyl-acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-16-10(13)7-8-17-11(12(14)15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,14,15)