2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
[CAS# 7691-71-6]

Identification

• Name: 2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
• Synonyms: 3-[(2Z)-2-[(E)-3-(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)-2-Methyl-Prop-2-Enylidene]-5,6-Dimethyl-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate; 2-(3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl)-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
• Molecular Formula: C₂₅H₂₈N₂O₃S₃
• Molecular Weight: 500.69
• CAS Registry Number: 7691-71-6
• EINECS: 231-702-7
• SMILES: C2=C1[N+](=C(SC1=CC(=C2C)C)C=C(C=C3SC4=C(N3CC)C=CC=C4)C)CCC[S]([O-])(=O)=O
• InChI: 1S/C25H28N2O3S3/c1-5-26-20-9-6-7-10-22(20)31-24(26)13-17(2)14-25-27(11-8-12-33(28,29)30)21-15-18(3)19(4)16-23(21)32-25/h6-7,9-10,13-16H,5,8,11-12H2,1-4H3
• InChIKey: BCISOBKQMRFGRW-UHFFFAOYSA-N