3-methyl-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-methyl-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-3-methyl-benzoic acid CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-3-methylbenzoic acid IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-3-methylbenzoic acid Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-3-methyl-benzoic acid Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N2O7S/c1-8-3-2-4-10(14(18)19)13(8)15-24(22,23)9-5-6-12(17)11(7-9)16(20)21/h2-7,15,17H,1H3,(H,18,19)