3-(2-{2-[(3-Ethyl-5-Methyl-1,3-Benzoselenazol-2(3H)-Ylidene)Methyl]-1-Buten-1-Yl}-5,6-Dimethyl-1,3-Benzoselenazol-3-Ium-3-Yl)-1-Propanesulfonate
[CAS# 39981-05-0]

Identification

• Name: 3-(2-{2-[(3-Ethyl-5-Methyl-1,3-Benzoselenazol-2(3H)-Ylidene)Methyl]-1-Buten-1-Yl}-5,6-Dimethyl-1,3-Benzoselenazol-3-Ium-3-Yl)-1-Propanesulfonate
• Synonyms: 2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzoselenazolium
• Molecular Formula: C₂₇H₃₂N₂O₃SSe₂
• Molecular Weight: 622.54
• CAS Registry Number: 39981-05-0
• EINECS: 254-733-8
• SMILES: [O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4[se]c3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC
• InChI: 1S/C27H32N2O3SSe2/c1-6-21(16-26-28(7-2)22-13-18(3)9-10-24(22)34-26)17-27-29(11-8-12-33(30,31)32)23-14-19(4)20(5)15-25(23)35-27/h9-10,13-17H,6-8,11-12H2,1-5H3
• InChIKey: QFOXRTGRFWMXTE-UHFFFAOYSA-N