2-azanyl-4-methyl-5-sulfanyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-methyl-5-sulfanyl-benzenesulfonic acid Openeye Name: 2-amino-4-methyl-5-sulfanyl-benzenesulfonic acid CAS Name: 2-amino-5-mercapto-4-methylbenzenesulfonic acid IUPAC Name: 2-amino-4-methyl-5-sulfanylbenzenesulfonic acid Traditional Name: 2-amino-5-mercapto-4-methyl-besylic acid Formula: C7H9NO3S2 MolecularWeight: 219.28126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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