2-oxidanyl-2-phenethylsulfanyl-butanedioic acid

Systemtic Name: 2-oxidanyl-2-phenethylsulfanyl-butanedioic acid Openeye Name: 2-hydroxy-2-phenethylsulfanyl-butanedioic acid CAS Name: 2-hydroxy-2-(phenethylthio)butanedioic acid IUPAC Name: 2-hydroxy-2-phenethylsulfanylbutanedioic acid Traditional Name: 2-hydroxy-2-(phenethylthio)succinic acid Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5S/c13-10(14)8-12(17,11(15)16)18-7-6-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,13,14)(H,15,16)