2-oxidanyl-2-(phenylmethylsulfanyl)butanedioic acid

Systemtic Name: 2-oxidanyl-2-(phenylmethylsulfanyl)butanedioic acid Openeye Name: 2-benzylsulfanyl-2-hydroxy-butanedioic acid CAS Name: 2-hydroxy-2-(phenylmethylthio)butanedioic acid IUPAC Name: 2-benzylsulfanyl-2-hydroxybutanedioic acid Traditional Name: 2-(benzylthio)-2-hydroxy-succinic acid Formula: C11H12O5S MolecularWeight: 256.27498

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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)