Ethyl 3-Ethyl-2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]Benzothiazolium Sulphate
[CAS# 67800-91-3]

Identification

• Name: Ethyl 3-Ethyl-2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]Benzothiazolium Sulphate
• Synonyms: 3-Ethyl-2-[(E,3Z)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methyl-Prop-1-Enyl]-1,3-Benzothiazol-3-Ium; Ethyl Sulfate; 3,3'-Diethyl-9-Methyl-2,2'-Thiacarbocyanine Ethosulfate; Benzothiazolium, 3-Ethyl-2-(3-(3-Ethyl-2(3H)-Benzothiazolylidene)-2-Methyl-1-Propenyl)-, Ethyl Sulfate
• Molecular Formula: C₂₄H₂₈N₂O₄S₃
• Molecular Weight: 504.68
• CAS Registry Number: 67800-91-3
• EINECS: 267-115-8
• SMILES: C2=C1[N+](=C(SC1=CC=C2)C=C(/C=C/4SC3=CC=CC=C3N4CC)C)CC.C(O[S]([O-])(=O)=O)C
• InChI: 1S/C22H23N2S2.C2H6O4S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-2-6-7(3,4)5/h6-15H,4-5H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
• InChIKey: ORGLOPDBXCEQCS-UHFFFAOYSA-M