2-[2-[(3-Ethyl-5-Methylbenzothiazol-2(3H)-Ylidene)Methyl]But-1-Enyl]-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
[CAS# 66096-08-0]

Identification

• Name: 2-[2-[(3-Ethyl-5-Methylbenzothiazol-2(3H)-Ylidene)Methyl]But-1-Enyl]-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
• Synonyms: 2-(2-((3-Ethyl-5-Methylbenzothiazol-2(3H)-Ylidene)Methyl)But-1-Enyl)-5,6-Dimethyl-3-(3-Sulphonatopropyl)Benzothiazolium
• Molecular Formula: C₂₇H₃₄N₂O₃S₃
• Molecular Weight: 530.76
• CAS Registry Number: 66096-08-0
• EINECS: 266-140-1
• 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(C=C4)C
• InChI: 1S/C27H34N2O3S3/c1-6-21(16-26-28(7-2)22-13-18(3)9-10-24(22)33-26)17-27-29(11-8-12-35(30,31)32)23-14-19(4)20(5)15-25(23)34-27/h9-10,13-17,27H,6-8,11-12H2,1-5H3,(H,30,31,32)/b21-17+,26-16-
• InChIKey: ZVEAYQXXWDAEPQ-IDRDULNHSA-N