sodium (5Z)-3-chloranyl-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: sodium (5Z)-3-chloranyl-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate Openeye Name: sodium (5Z)-3-chloro-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-6-oxo-cyclohexa-1,3-diene-1-sulfonate CAS Name: sodium (5Z)-3-chloro-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienesulfonate IUPAC Name: sodium (5Z)-3-chloro-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate Traditional Name: sodium (5Z)-3-chloro-6-keto-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]cyclohexa-1,3-diene-1-sulfonate Formula: C16H12ClN4NaO5S MolecularWeight: 430.79805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])Cl)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C\2/C=C(C=C(C2=O)S(=O)(=O)[O-])Cl)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H13ClN4O5S.Na/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26;/h2-8,14,19H,1H3,(H,24,25,26);/q;+1/p-1/b18-12-;