2-[2-(methylsulfanylmethyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(methylsulfanylmethyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(methylsulfanylmethyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(methylthio)methyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-(methylsulfanylmethyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(methylthio)methyl]phenyl]thio]acetic acid Formula: C10H12O2S2 MolecularWeight: 228.33108

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC=C1SCC(=O)O

Isomeric SMILES

CSCC1=CC=CC=C1SCC(=O)O

InChI

InChI=1S/C10H12O2S2/c1-13-6-8-4-2-3-5-9(8)14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)