(4E)-4-[(4-azanyl-2-sulfo-phenyl)hydrazinylidene]-1-(2-methyl-4-sulfo-phenyl)-5-oxidanylidene-pyrazole-3-carboxylic acid

Systemtic Name: (4E)-4-[(4-azanyl-2-sulfo-phenyl)hydrazinylidene]-1-(2-methyl-4-sulfo-phenyl)-5-oxidanylidene-pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[(4-amino-2-sulfo-phenyl)hydrazono]-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazole-3-carboxylic acid CAS Name: (4E)-4-[(4-amino-2-sulfophenyl)hydrazinylidene]-1-(2-methyl-4-sulfophenyl)-5-oxo-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[(4-amino-2-sulfophenyl)hydrazinylidene]-1-(2-methyl-4-sulfophenyl)-5-oxopyrazole-3-carboxylic acid Traditional Name: (4E)-4-[(4-amino-2-sulfo-phenyl)hydrazono]-5-keto-1-(2-methyl-4-sulfo-phenyl)-2-pyrazoline-3-carboxylic acid Formula: C17H15N5O9S2 MolecularWeight: 497.4591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C(=NNC3=C(C=C(C=C3)N)S(=O)(=O)O)C(=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)/C(=N/NC3=C(C=C(C=C3)N)S(=O)(=O)O)/C(=N2)C(=O)O

InChI

InChI=1S/C17H15N5O9S2/c1-8-6-10(32(26,27)28)3-5-12(8)22-16(23)14(15(21-22)17(24)25)20-19-11-4-2-9(18)7-13(11)33(29,30)31/h2-7,19H,18H2,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-14+