trisodium 4-[[5-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-2-sulfonato-phenyl]diazenyl]-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

Systemtic Name: trisodium 4-[[5-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-2-sulfonato-phenyl]diazenyl]-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate Openeye Name: trisodium 4-[5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonato-phenyl]azo-1-(2-methyl-4-sulfonato-phenyl)-5-oxo-4H-pyrazole-3-carboxylate CAS Name: trisodium 4-[5-[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]amino]-2-sulfonatophenyl]azo-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate IUPAC Name: trisodium 4-[[5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonatophenyl]diazenyl]-1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate Traditional Name: trisodium 4-[5-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonato-phenyl]azo-5-keto-1-(2-methyl-4-sulfonato-phenyl)-2-pyrazoline-3-carboxylate Formula: C26H14Cl2N7Na3O10S2 MolecularWeight: 788.43557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)N=C(C(=N5)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)N=C(C(=N5)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H17Cl2N7O10S2.3Na/c1-11-8-14(46(40,41)42)4-6-18(11)35-25(37)20(21(34-35)26(38)39)33-32-17-10-13(3-7-19(17)47(43,44)45)29-24(36)12-2-5-15-16(9-12)31-23(28)22(27)30-15;;;/h2-10,20H,1H3,(H,29,36)(H,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3