SODIUM 6-CHLORO-2-[(1E)-3-[(2Z)-5-CHLORO-3-ETHYL-1-(3-SULFONATOPROPYL)-6-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-2-YLIDENE]PROP-1-EN-1-YL]-1-ETHYL-3-(3-SULFONATOPROPYL)-5-(TRIFLUOROMETHYL)-1H-1,3-BENZODIAZOL-3-IUM | CAS 33628-05-6

Catalog Id:
MM33628056

IUPAC:
SODIUM3-[5-CHLORO-2-[(E,3Z)-3-[6-CHLORO-1-ETHYL-3-(3-SULFONATOPROPYL)-5-(TRIFLUOROMETHYL)BENZIMIDAZOL-2-YLIDENE]PROP-1-ENYL]-3-ETHYL-6-(TRIFLUOROMETHYL)BENZIMIDAZOL-1-IUM-1-YL]PROPANE-1-SULFONATE

CAS Number:
33628-05-6

Molecular Weight:
801.57

Formula:
C29H29Cl2F6N4NaO6S2

SMILES:
[Na+].CCN1\C(=C\C=C\C2=[N+](CCCS([O-])(=O)=O)C3=CC(=C(Cl)C=C3N2CC)C(F)(F)F)N(CCCS([O-])(=O)=O)C2=CC(=C(Cl)C=C12)C(F)(F)F

Preferred IUPAC Name:
SODIUM 6-CHLORO-2-[(1E)-3-[(2Z)-5-CHLORO-3-ETHYL-1-(3-SULFONATOPROPYL)-6-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-2-YLIDENE]PROP-1-EN-1-YL]-1-ETHYL-3-(3-SULFONATOPROPYL)-5-(TRIFLUOROMETHYL)-1H-1,3-BENZODIAZOL-3-IUM

InChIKey:
InChIKey=XJTFGUSFOPRUQV-UHFFFAOYSA-M

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Aromatic Cyclic Structures, Imidazoles, Aryl Halides, Fluorinated Intermediates