2-(carboxymethylsulfanyl)-4-methyl-benzoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-methyl-benzoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-methyl-benzoic acid CAS Name: 2-(carboxymethylthio)-4-methylbenzoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-methylbenzoic acid Traditional Name: 2-(carboxymethylthio)-4-methyl-benzoic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O4S/c1-6-2-3-7(10(13)14)8(4-6)15-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)(H,13,14)