3-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamoyl]-(4-nitrophenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 3-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamoyl]-(4-nitrophenyl)sulfonyl-amino]benzoic acid Openeye Name: 3-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamoyl]-(4-nitrophenyl)sulfonyl-amino]benzoic acid CAS Name: 3-[[(4-nitro-N-(4-nitrophenyl)sulfonylanilino)-oxomethyl]-(4-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 3-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonylcarbamoyl]-(4-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 3-[[(4-nitrophenyl)-nosyl-carbamoyl]-nosyl-amino]benzoic acid Formula: C26H17N5O13S2 MolecularWeight: 671.56888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N(C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H17N5O13S2/c32-25(33)17-2-1-3-22(16-17)28(46(43,44)24-14-10-21(11-15-24)31(39)40)26(34)27(18-4-6-19(7-5-18)29(35)36)45(41,42)23-12-8-20(9-13-23)30(37)38/h1-16H,(H,32,33)