2-[3-(carboxymethylsulfanyl)-2-oxidanyl-3-phenyl-propoxy]ethanoic acid

Systemtic Name: 2-[3-(carboxymethylsulfanyl)-2-oxidanyl-3-phenyl-propoxy]ethanoic acid Openeye Name: 2-[3-(carboxymethylsulfanyl)-2-hydroxy-3-phenyl-propoxy]acetic acid CAS Name: 2-[3-(carboxymethylthio)-2-hydroxy-3-phenylpropoxy]acetic acid IUPAC Name: 2-[3-(carboxymethylsulfanyl)-2-hydroxy-3-phenylpropoxy]acetic acid Traditional Name: 2-[3-(carboxymethylthio)-2-hydroxy-3-phenyl-propoxy]acetic acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COCC(=O)O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(COCC(=O)O)O)SCC(=O)O

InChI

InChI=1S/C13H16O6S/c14-10(6-19-7-11(15)16)13(20-8-12(17)18)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,15,16)(H,17,18)