disodium 2-[[1-(2-chloranyl-5-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate

Systemtic Name: disodium 2-[[1-(2-chloranyl-5-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate Openeye Name: disodium 2-[[1-(2-chloro-5-sulfonato-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate CAS Name: disodium 2-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate IUPAC Name: disodium 2-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate Traditional Name: disodium 2-[[1-(2-chloro-5-sulfonato-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoate Formula: C17H11ClN4Na2O6S MolecularWeight: 480.78998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C17H13ClN4O6S.2Na/c1-9-15(20-19-13-5-3-2-4-11(13)17(24)25)16(23)22(21-9)14-8-10(29(26,27)28)6-7-12(14)18;;/h2-8,15H,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2