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

Systemtic Name: 3,4-dimethyl-5-[(5-nitro-2-oxidanyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-hydroxy-5-nitro-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(2-hydroxy-5-nitrophenyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(2-hydroxy-5-nitrophenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(2-hydroxy-5-nitro-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C15H14N2O7S/c1-8-5-10(15(19)20)6-14(9(8)2)25(23,24)16-12-7-11(17(21)22)3-4-13(12)18/h3-7,16,18H,1-2H3,(H,19,20)