sodium 2-[[1-(2-chloranyl-6-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-4-[(3-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-7-yl)carbonylamino]benzenesulfonate

Systemtic Name: sodium 2-[[1-(2-chloranyl-6-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-4-[(3-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-7-yl)carbonylamino]benzenesulfonate Openeye Name: sodium 2-[[1-(2-chloro-6-methyl-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-4-[(3-chloro-1-oxido-1,2,4-benzotriazin-1-ium-7-carbonyl)amino]benzenesulfonate CAS Name: sodium 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-4-[[(3-chloro-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-[(3-chloro-1-oxido-1,2,4-benzotriazin-1-ium-7-carbonyl)amino]benzenesulfonate Traditional Name: sodium 2-[[1-(2-chloro-6-methyl-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]-4-[(3-chloro-1-oxido-1,2,4-benzotriazin-1-ium-7-carbonyl)amino]besylate Formula: C25H17Cl2N8NaO6S MolecularWeight: 651.41325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)N=C(N=[N+]5[O-])Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)N=C(N=[N+]5[O-])Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H18Cl2N8O6S.Na/c1-12-4-3-5-16(26)22(12)34-24(37)21(13(2)32-34)31-30-18-11-15(7-9-20(18)42(39,40)41)28-23(36)14-6-8-17-19(10-14)35(38)33-25(27)29-17;/h3-11,21H,1-2H3,(H,28,36)(H,39,40,41);/q;+1/p-1