sodium 5-chloranyl-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 5-chloranyl-2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: sodium 5-chloro-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: sodium 5-chloro-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: sodium 5-chloro-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: sodium 5-chloro-2-[[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]besylate Formula: C16H11Cl2N4NaO4S MolecularWeight: 449.24371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC=CC=C3Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC=CC=C3Cl.[Na+]

InChI

InChI=1S/C16H12Cl2N4O4S.Na/c1-9-15(16(23)22(21-9)13-5-3-2-4-11(13)18)20-19-12-7-6-10(17)8-14(12)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1