3-[2-{2-[(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5-methyl-1,3-benzoselenazol-3(2H)-yl]-2-methyl-1-propanesulfonate
[CAS# 94158-30-2]

Identification

• Name: 3-[2-{2-[(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene}-5-methyl-1,3-benzoselenazol-3(2H)-yl]-2-methyl-1-propanesulfonate
• Synonyms: 3-ethyl-5,6-dimethyl-2-[2-[[5-methyl-3-(2-methyl-3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzothiazolium
• Molecular Formula: C₂₈H₃₄N₂O₃S₂Se
• Molecular Weight: 589.67
• CAS Registry Number: 94158-30-2
• EINECS: 303-101-0
• SMILES: CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC(C)CS([O-])(=O)=O
• InChI: 1S/C28H34N2O3S2Se/c1-7-22(14-27-29(8-2)23-12-20(5)21(6)13-25(23)34-27)15-28-30(16-19(4)17-35(31,32)33)24-11-18(3)9-10-26(24)36-28/h9-15,19H,7-8,16-17H2,1-6H3
• InChIKey: GGHANVPJVVJWKM-UHFFFAOYSA-N