sodium 2,5-bis(chloranyl)-4-(5,7-dinitro-3-oxidanylidene-1H-indazol-2-yl)benzenesulfonate

Systemtic Name: sodium 2,5-bis(chloranyl)-4-(5,7-dinitro-3-oxidanylidene-1H-indazol-2-yl)benzenesulfonate Openeye Name: sodium 2,5-dichloro-4-(5,7-dinitro-3-oxo-1H-indazol-2-yl)benzenesulfonate CAS Name: sodium 2,5-dichloro-4-(5,7-dinitro-3-oxo-1H-indazol-2-yl)benzenesulfonate IUPAC Name: sodium 2,5-dichloro-4-(5,7-dinitro-3-oxo-1H-indazol-2-yl)benzenesulfonate Traditional Name: sodium 2,5-dichloro-4-(3-keto-5,7-dinitro-indazolin-2-yl)besylate Formula: C13H5Cl2N4NaO8S MolecularWeight: 471.16157

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1[N+](=O)[O-])NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1[N+](=O)[O-])NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H6Cl2N4O8S.Na/c14-7-4-11(28(25,26)27)8(15)3-9(7)17-13(20)6-1-5(18(21)22)2-10(19(23)24)12(6)16-17;/h1-4,16H,(H,25,26,27);/q;+1/p-1