2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)Isobut-1-Enyl]-3-(4-Sulphonatobutyl)Benzothiazolium
[CAS# 30457-66-0]

Identification

• Name: 2-[3-(3-Ethyl-3H-Benzothiazol-2-Ylidene)Isobut-1-Enyl]-3-(4-Sulphonatobutyl)Benzothiazolium
• Synonyms: 4-[2-[(E,3Z)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methylprop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-1-Sulfonate; 4-[2-[(E,3Z)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methyl-Prop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-1-Sulfonate; 4-[2-[(E,3E)-3-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-2-Methyl-Prop-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Butane-1-Sulfonate
• Molecular Formula: C₂₄H₂₆N₂O₃S₃
• Molecular Weight: 486.66
• CAS Registry Number: 30457-66-0
• EINECS: 250-208-2
• SMILES: C1=CC=CC2=C1N(C(S2)=CC(=CC3=[N+](C4=C(S3)C=CC=C4)CC)C)CCCC[S](=O)(=O)[O-]
• InChI: 1S/C24H26N2O3S3/c1-3-25-19-10-4-6-12-21(19)30-23(25)16-18(2)17-24-26(14-8-9-15-32(27,28)29)20-11-5-7-13-22(20)31-24/h4-7,10-13,16-17H,3,8-9,14-15H2,1-2H3
• InChIKey: ZCJPIQRUDMDSMK-UHFFFAOYSA-N