2-[2-[(5-Chloro-3-Ethyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
[CAS# 29213-78-3]

Identification

• Name: 2-[2-[(5-Chloro-3-Ethyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
• Synonyms: 2-(2-((5-Chloro-3-Ethyl-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
• Molecular Formula: C₂₆H₃₁ClN₂O₃S₃
• Molecular Weight: 551.18
• CAS Registry Number: 29213-78-3
• EINECS: 249-515-4
• SMILES: [SH+]1C(N(C2=C1C=C(C(=C2)C)C)CCC[S]([O-])(=O)=O)\C=C(CC)\C=C\3SC4=C(N3CC)C=C(Cl)C=C4
• InChI: 1S/C26H31ClN2O3S3/c1-5-19(14-25-28(6-2)22-16-20(27)8-9-23(22)33-25)15-26-29(10-7-11-35(30,31)32)21-12-17(3)18(4)13-24(21)34-26/h8-9,12-16,26H,5-7,10-11H2,1-4H3,(H,30,31,32)/b19-15+,25-14-
• InChIKey: QGVMODYMJIEECE-IDSGUWIASA-N