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

Systemtic Name: 3-(carboxymethylsulfanyl)-2-methyl-benzoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-methyl-benzoic acid CAS Name: 3-(carboxymethylthio)-2-methylbenzoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-methylbenzoic acid Traditional Name: 3-(carboxymethylthio)-2-methyl-benzoic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)O)C(=O)O

InChI

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