3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoic acid Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O7S/c16-12-5-4-10(7-11(12)15(19)20)23(21,22)14-9-3-1-2-8(6-9)13(17)18/h1-7,14,16H,(H,17,18)