azanium (4E)-4-[1-(4-azanyl-2-methyl-phenyl)ethylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: azanium (4E)-4-[1-(4-azanyl-2-methyl-phenyl)ethylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: ammonium (4E)-4-[1-(4-amino-2-methyl-phenyl)ethylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: ammonium (4E)-4-[1-(4-amino-2-methylphenyl)ethylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: azanium (4E)-4-[1-(4-amino-2-methylphenyl)ethylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: ammonium (4E)-4-[1-(4-amino-2-methyl-phenyl)ethylidene]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C19H21N4O6S+ MolecularWeight: 433.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)C(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)C.[NH4+]

Isomeric SMILES

CC1=C(C=CC(=C1)N)/C(=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)/C.[NH4+]

InChI

InChI=1S/C19H17N3O6S.H3N/c1-10-9-12(20)3-8-15(10)11(2)16-17(19(24)25)21-22(18(16)23)13-4-6-14(7-5-13)29(26,27)28;/h3-9H,20H2,1-2H3,(H,24,25)(H,26,27,28);1H3/p+1/b16-11+;