1-(5-azanyl-2-methyl-3-sulfo-phenyl)-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(5-azanyl-2-methyl-3-sulfo-phenyl)-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(5-amino-2-methyl-3-sulfo-phenyl)-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(5-amino-2-methyl-3-sulfo-phenyl)-5-keto-4-(2-sulfophenyl)azo-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=C(C=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=CC=C3S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=CC=C3S(=O)(=O)O)N)S(=O)(=O)O

InChI

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