4-[bis(methylsulfonyl)amino]-2-nitro-benzoic acid

Systemtic Name: 4-[bis(methylsulfonyl)amino]-2-nitro-benzoic acid Openeye Name: 4-[bis(methylsulfonyl)amino]-2-nitro-benzoic acid CAS Name: 4-[bis(methylsulfonyl)amino]-2-nitrobenzoic acid IUPAC Name: 4-[bis(methylsulfonyl)amino]-2-nitrobenzoic acid Traditional Name: 4-(dimesylamino)-2-nitro-benzoic acid Formula: C9H10N2O8S2 MolecularWeight: 338.3143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O8S2/c1-20(16,17)11(21(2,18)19)6-3-4-7(9(12)13)8(5-6)10(14)15/h3-5H,1-2H3,(H,12,13)