4-(2,4-dinitrophenyl)sulfonylbenzoic acid

Systemtic Name: 4-(2,4-dinitrophenyl)sulfonylbenzoic acid Openeye Name: 4-(2,4-dinitrophenyl)sulfonylbenzoic acid CAS Name: 4-(2,4-dinitrophenyl)sulfonylbenzoic acid IUPAC Name: 4-(2,4-dinitrophenyl)sulfonylbenzoic acid Traditional Name: 4-(2,4-dinitrophenyl)sulfonylbenzoic acid Formula: C13H8N2O8S MolecularWeight: 352.27622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O8S/c16-13(17)8-1-4-10(5-2-8)24(22,23)12-6-3-9(14(18)19)7-11(12)15(20)21/h1-7H,(H,16,17)