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

Systemtic Name: sodium 4-chloranyl-3-[4-[(3-methanoylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-chloro-3-[4-(3-formylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-chloro-3-[4-(3-formylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-chloro-3-[4-[(3-formylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-chloro-3-[4-(3-formylphenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C17H12ClN4NaO5S MolecularWeight: 442.80875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O5S.Na/c1-10-16(20-19-12-4-2-3-11(7-12)9-23)17(24)22(21-10)15-8-13(28(25,26)27)5-6-14(15)18;/h2-9,16H,1H3,(H,25,26,27);/q;+1/p-1