3-azanyl-4-methyl-2-sulfanyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-4-methyl-2-sulfanyl-benzenesulfonic acid Openeye Name: 3-amino-4-methyl-2-sulfanyl-benzenesulfonic acid CAS Name: 3-amino-2-mercapto-4-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-methyl-2-sulfanylbenzenesulfonic acid Traditional Name: 3-amino-2-mercapto-4-methyl-besylic acid Formula: C7H9NO3S2 MolecularWeight: 219.28126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)S)N

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)S)N

InChI

InChI=1S/C7H9NO3S2/c1-4-2-3-5(13(9,10)11)7(12)6(4)8/h2-3,12H,8H2,1H3,(H,9,10,11)