azanium 4-[(4Z)-3-carboxyoxy-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: azanium 4-[(4Z)-3-carboxyoxy-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: ammonium 4-[(4Z)-3-carboxyoxy-4-[(4-dimethylaminophenyl)methylene]-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: ammonium 4-[(4Z)-3-carboxyoxy-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: azanium 4-[(4Z)-3-carboxyoxy-4-[(4-dimethylaminophenyl)methylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: ammonium 4-[(4Z)-3-carboxyoxy-4-[4-(dimethylamino)benzylidene]-5-keto-2-pyrazolin-1-yl]besylate Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])OC(=O)O.[NH4+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])OC(=O)O.[NH4+]

InChI

InChI=1S/C19H17N3O7S.H3N/c1-21(2)13-5-3-12(4-6-13)11-16-17(29-19(24)25)20-22(18(16)23)14-7-9-15(10-8-14)30(26,27)28;/h3-11H,1-2H3,(H,24,25)(H,26,27,28);1H3/b16-11-;