3-(phenylmethylsulfanyl)carbothioylsulfanylpropanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)carbothioylsulfanylpropanoic acid Openeye Name: 3-benzylsulfanylcarbothioylsulfanylpropanoic acid CAS Name: 3-[[(phenylmethylthio)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-benzylsulfanylcarbothioylsulfanylpropanoic acid Traditional Name: 3-[(benzylthio)carbothioylthio]propionic acid Formula: C11H12O2S3 MolecularWeight: 272.40678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O2S3/c12-10(13)6-7-15-11(14)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)