3-oxidanylidene-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-oxidanylidene-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-3-oxo-propanoic acid CAS Name: 3-oxo-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-3-oxopropanoic acid Traditional Name: 3-(benzylthio)-3-keto-propionic acid Formula: C10H10O3S MolecularWeight: 210.2496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)CC(=O)O

InChI

InChI=1S/C10H10O3S/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)