Registration Dossier

General information

Inventory

EC number:
257-479-6
EC name:
Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
CAS number:
51858-17-4

No inventory information available

Reference substance information

IUPAC name:
dipotassium dihydrogen 4-[(1E,3E)-5-[(4E)-3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]penta-1,3-dien-1-yl]-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
Synonyms
Names:
1H-Pyrazole-3-carboxylic acid, 4-[5-[3-carboxy-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, dipotassium salt
dipotassium dihydrogen 4-{5-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]penta-1,3-dien-1-yl}-5-hydroxy-1-(4-sulfonatophenyl)-1H-pyrazole-3-carboxylate

CAS information

CAS number:
51858-17-4

Molecular and structural information

Molecular formula:
C25H16N4O12S2.2K
Molecular weight:
706.74
SMILES notation:
[H+].[H+].[K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C([O-])=O)c(C=CC=CC=C3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c4O
InChl:
1S/C25H18N4O12S2.2K/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b3-1+,4-2+,19-5+
Structural formula:
Chemical structure