disodium 4,5-bis(chloranyl)-2-[[3-methyl-5-oxidanylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: disodium 4,5-bis(chloranyl)-2-[[3-methyl-5-oxidanylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: disodium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: disodium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: disodium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: disodium 4,5-dichloro-2-[[5-keto-3-methyl-1-(3-sulfonatophenyl)-2-pyrazolin-4-yl]azo]besylate Formula: C16H10Cl2N4Na2O7S2 MolecularWeight: 551.28874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)[O-])Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)[O-])Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2