3,4-dimethyl-5-[(2-methyl-5-nitro-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(2-methyl-5-nitro-phenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(2-methyl-5-nitro-phenyl)sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(2-methyl-5-nitro-phenyl)sulfamoyl]benzoic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

InChI=1S/C16H16N2O6S/c1-9-4-5-13(18(21)22)8-14(9)17-25(23,24)15-7-12(16(19)20)6-10(2)11(15)3/h4-8,17H,1-3H3,(H,19,20)