3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-phenylmethyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-phenyl-methyl]thio]propionic acid Formula: C13H16O4S2 MolecularWeight: 300.39374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S2/c14-11(15)6-8-18-13(19-9-7-12(16)17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)(H,16,17)