2-oxidanyl-2-(phenylmethylsulfanyl)butanedioate

Systemtic Name: 2-oxidanyl-2-(phenylmethylsulfanyl)butanedioate Openeye Name: 2-benzylsulfanyl-2-hydroxy-butanedioate CAS Name: 2-hydroxy-2-(phenylmethylthio)butanedioate IUPAC Name: 2-benzylsulfanyl-2-hydroxybutanedioate Traditional Name: 2-(benzylthio)-2-hydroxy-succinate Formula: C11H10O5S-2 MolecularWeight: 254.2591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CSC(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C11H12O5S/c12-9(13)6-11(16,10(14)15)17-7-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)/p-2