(4E)-4-[(4-butylphenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid

Systemtic Name: (4E)-4-[(4-butylphenyl)hydrazinylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[(4-butylphenyl)hydrazono]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid CAS Name: (4E)-4-[(4-butylphenyl)hydrazinylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[(4-butylphenyl)hydrazinylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: (4E)-4-[(4-butylphenyl)hydrazono]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C20H20N4O6S MolecularWeight: 444.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H20N4O6S/c1-2-3-4-13-5-7-14(8-6-13)21-22-17-18(20(26)27)23-24(19(17)25)15-9-11-16(12-10-15)31(28,29)30/h5-12,21H,2-4H2,1H3,(H,26,27)(H,28,29,30)/b22-17+