TRISODIUM 4-{5-HYDROXY-3-METHYL-4-[(1E)-3-[(4Z)-3-METHYL-5-OXO-1-(4-SULFONATOPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]BUT-1-EN-1-YL]-1H-PYRAZOL-1-YL}BENZENE-1-SULFONATE | CAS 53014-12-3

Catalog Id:
MM53014123

IUPAC:
TRISODIUM4-[5-HYDROXY-3-METHYL-4-[(E,3Z)-3-[3-METHYL-5-OXO-1-(4-SULFONATOPHENYL)PYRAZOL-4-YLIDENE]BUT-1-ENYL]PYRAZOL-1-YL]BENZENESULFONATE

CAS Number:
53014-12-3

Molecular Weight:
625.53

Formula:
C24H20N4Na3O8S2

SMILES:
[Na+].[Na+].[Na+].C\C(\C=C\C1=C(O)N(N=C1C)C1=CC=C(C=C1)S([O-])(=O)=O)=C1/C(C)=NN(C1=O)C1=CC=C(C=C1)S([O-])(=O)=O

Preferred IUPAC Name:
TRISODIUM 4-{5-HYDROXY-3-METHYL-4-[(1E)-3-[(4Z)-3-METHYL-5-OXO-1-(4-SULFONATOPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]BUT-1-EN-1-YL]-1H-PYRAZOL-1-YL}BENZENE-1-SULFONATE

InChIKey:
InChIKey=KBFBVKYHSOLVFL-XENDVBMFSA-L

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Aromatic Cyclic Structures, Phenols, Amides, Hydrazones