sodium 2,5-bis(chloranyl)-4-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate

Systemtic Name: sodium 2,5-bis(chloranyl)-4-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-phenylazo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: sodium 2,5-dichloro-4-(5-keto-3-methyl-4-phenylazo-2-pyrazolin-1-yl)besylate Formula: C16H11Cl2N4NaO4S MolecularWeight: 449.24371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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