4-[3-oxidanyl-5-oxidanylidene-1,2-bis(4-sulfophenyl)pyrazol-4-yl]benzenesulfonic acid

Systemtic Name: 4-[3-oxidanyl-5-oxidanylidene-1,2-bis(4-sulfophenyl)pyrazol-4-yl]benzenesulfonic acid Openeye Name: 4-[3-hydroxy-5-oxo-1,2-bis(4-sulfophenyl)pyrazol-4-yl]benzenesulfonic acid CAS Name: 4-[3-hydroxy-5-oxo-1,2-bis(4-sulfophenyl)-4-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[3-hydroxy-5-oxo-1,2-bis(4-sulfophenyl)pyrazol-4-yl]benzenesulfonic acid Traditional Name: 4-[3-hydroxy-5-keto-1,2-bis(4-sulfophenyl)-3-pyrazolin-4-yl]besylic acid Formula: C21H16N2O11S3 MolecularWeight: 568.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N(N(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(N(N(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O11S3/c24-20-19(13-1-7-16(8-2-13)35(26,27)28)21(25)23(15-5-11-18(12-6-15)37(32,33)34)22(20)14-3-9-17(10-4-14)36(29,30)31/h1-12,24H,(H,26,27,28)(H,29,30,31)(H,32,33,34)