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

Systemtic Name: 5-oxidanylidene-4-[(4-sulfophenyl)diazenyl]-1-[2-sulfo-3-(4-sulfophenyl)phenyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-4-(4-sulfophenyl)azo-1-[2-sulfo-3-(4-sulfophenyl)phenyl]-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-4-(4-sulfophenyl)azo-1-[2-sulfo-3-(4-sulfophenyl)phenyl]-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-4-[(4-sulfophenyl)diazenyl]-1-[2-sulfo-3-(4-sulfophenyl)phenyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-4-(4-sulfophenyl)azo-1-[2-sulfo-3-(4-sulfophenyl)phenyl]-2-pyrazoline-3-carboxylic acid Formula: C22H16N4O12S3 MolecularWeight: 624.57704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C22H16N4O12S3/c27-21-18(24-23-13-6-10-15(11-7-13)40(33,34)35)19(22(28)29)25-26(21)17-3-1-2-16(20(17)41(36,37)38)12-4-8-14(9-5-12)39(30,31)32/h1-11,18H,(H,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)