2-methylbenzenesulfonamide; 3-sulfanylidenehexanedioic acid

Systemtic Name: 2-methylbenzenesulfonamide; 3-sulfanylidenehexanedioic acid Openeye Name: 2-methylbenzenesulfonamide; 3-thioxohexanedioic acid CAS Name: 2-methylbenzenesulfonamide; 3-sulfanylidenehexanedioic acid IUPAC Name: 2-methylbenzenesulfonamide; 3-sulfanylidenehexanedioic acid Traditional Name: 2-methylbenzenesulfonamide; 3-thioxoadipic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N.C(CC(=O)O)C(=S)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N.C(CC(=O)O)C(=S)CC(=O)O

InChI

InChI=1S/C7H9NO2S.C6H8O4S/c1-6-4-2-3-5-7(6)11(8,9)10;7-5(8)2-1-4(11)3-6(9)10/h2-5H,1H3,(H2,8,9,10);1-3H2,(H,7,8)(H,9,10)