sodium (5E)-3-chloranyl-5-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)NN=C3C=C(C=C(C3=O)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)N/N=C/3\C=C(C=C(C3=O)S(=O)(=O)[O-])Cl.[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;/h2-8,19-20H,1H3,(H,24,25,26);/q;+1/p-1/b18-12+;