SODIUM 5-CYANO-2-[(1E)-3-[(2Z)-5-CYANO-1-ETHYL-3-(3-SULFONATOPROPYL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-2-YLIDENE]PROP-1-EN-1-YL]-1-ETHYL-3-(3-SULFONATOPROPYL)-1H-1,3-BENZODIAZOL-3-IUM | CAS 33628-08-9

Catalog Id:
MM33628089

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

CAS Number:
33628-08-9

Molecular Weight:
646.71

Formula:
C29H31N6NaO6S2

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

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

InChIKey:
InChIKey=UXUKYXHZVUQAPC-UHFFFAOYSA-M

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Aromatic Cyclic Structures, Nitriles, Imidazoles