3,5-bis(iodanyl)-4-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamothioyl]-(4-nitrophenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-4-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamothioyl]-(4-nitrophenyl)sulfonyl-amino]benzoic acid Openeye Name: 3,5-diiodo-4-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonyl-carbamothioyl]-(4-nitrophenyl)sulfonyl-amino]benzoic acid CAS Name: 3,5-diiodo-4-[[(4-nitro-N-(4-nitrophenyl)sulfonylanilino)-sulfanylidenemethyl]-(4-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 3,5-diiodo-4-[[(4-nitrophenyl)-(4-nitrophenyl)sulfonylcarbamothioyl]-(4-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 3,5-diiodo-4-[[(4-nitrophenyl)-nosyl-thiocarbamoyl]-nosyl-amino]benzoic acid Formula: C26H15I2N5O12S3 MolecularWeight: 939.42754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(=S)N(C2=C(C=C(C=C2I)C(=O)O)I)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C(=S)N(C2=C(C=C(C=C2I)C(=O)O)I)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H15I2N5O12S3/c27-22-13-15(25(34)35)14-23(28)24(22)30(48(44,45)21-11-7-19(8-12-21)33(40)41)26(46)29(16-1-3-17(4-2-16)31(36)37)47(42,43)20-9-5-18(6-10-20)32(38)39/h1-14H,(H,34,35)