2-[2-(carboxymethylsulfanyl)-4-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-4-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-4-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[2-(carboxymethylthio)-4-methylphenyl]thio]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-4-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[2-(carboxymethylthio)-4-methyl-phenyl]thio]acetic acid Formula: C11H12O4S2 MolecularWeight: 272.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)O)SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C11H12O4S2/c1-7-2-3-8(16-5-10(12)13)9(4-7)17-6-11(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)