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

Systemtic Name: 6-azanyl-4-methyl-3-nitro-2-sulfanyl-benzenesulfonic acid Openeye Name: 6-amino-4-methyl-3-nitro-2-sulfanyl-benzenesulfonic acid CAS Name: 6-amino-2-mercapto-4-methyl-3-nitrobenzenesulfonic acid IUPAC Name: 6-amino-4-methyl-3-nitro-2-sulfanylbenzenesulfonic acid Traditional Name: 6-amino-2-mercapto-4-methyl-3-nitro-besylic acid Formula: C7H8N2O5S2 MolecularWeight: 264.27882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[N+](=O)[O-])S)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC(=C(C(=C1[N+](=O)[O-])S)S(=O)(=O)O)N

InChI

InChI=1S/C7H8N2O5S2/c1-3-2-4(8)7(16(12,13)14)6(15)5(3)9(10)11/h2,15H,8H2,1H3,(H,12,13,14)