2-oxidanyl-2-phenethylsulfanyl-butanedioate

Systemtic Name: 2-oxidanyl-2-phenethylsulfanyl-butanedioate Openeye Name: 2-hydroxy-2-phenethylsulfanyl-butanedioate CAS Name: 2-hydroxy-2-(phenethylthio)butanedioate IUPAC Name: 2-hydroxy-2-phenethylsulfanylbutanedioate Traditional Name: 2-hydroxy-2-(phenethylthio)succinate Formula: C12H12O5S-2 MolecularWeight: 268.28568

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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)/p-2