potassium 4-[(4Z)-3-carboxy-4-[[4-(diethylamino)phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: potassium 4-[(4Z)-3-carboxy-4-[[4-(diethylamino)phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: potassium 4-[(4Z)-3-carboxy-4-[[4-(diethylamino)phenyl]methylene]-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: potassium 4-[(4Z)-3-carboxy-4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: potassium 4-[(4Z)-3-carboxy-4-[[4-(diethylamino)phenyl]methylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: potassium 4-[(4Z)-3-carboxy-4-[4-(diethylamino)benzylidene]-5-keto-2-pyrazolin-1-yl]besylate Formula: C21H20KN3O6S MolecularWeight: 481.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O.[K+]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O.[K+]

InChI

InChI=1S/C21H21N3O6S.K/c1-3-23(4-2)15-7-5-14(6-8-15)13-18-19(21(26)27)22-24(20(18)25)16-9-11-17(12-10-16)31(28,29)30;/h5-13H,3-4H2,1-2H3,(H,26,27)(H,28,29,30);/q;+1/p-1/b18-13-;