disodium 4-[4-[[5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: disodium 4-[4-[[5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate Openeye Name: disodium 2,5-dichloro-4-[4-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 2,5-dichloro-4-[4-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: disodium 2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: disodium 2,5-dichloro-4-[4-[5-[(4,6-dichloro-s-triazin-2-yl)amino]-2-sulfonato-phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C19H10Cl4N8Na2O7S2 MolecularWeight: 714.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C19H12Cl4N8O7S2.2Na/c1-7-15(16(32)31(30-7)12-5-10(21)14(6-9(12)20)40(36,37)38)29-28-11-4-8(2-3-13(11)39(33,34)35)24-19-26-17(22)25-18(23)27-19;;/h2-6,15H,1H3,(H,33,34,35)(H,36,37,38)(H,24,25,26,27);;/q;2*+1/p-2