4-azanyl-5-methyl-2-nitro-benzenesulfonate

Systemtic Name: 4-azanyl-5-methyl-2-nitro-benzenesulfonate Openeye Name: 4-amino-5-methyl-2-nitro-benzenesulfonate CAS Name: 4-amino-5-methyl-2-nitrobenzenesulfonate IUPAC Name: 4-amino-5-methyl-2-nitrobenzenesulfonate Traditional Name: 4-amino-5-methyl-2-nitro-besylate Formula: C7H7N2O5S- MolecularWeight: 231.20588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C7H8N2O5S/c1-4-2-7(15(12,13)14)6(9(10)11)3-5(4)8/h2-3H,8H2,1H3,(H,12,13,14)/p-1