3-(2-{2-[(3-Ethyl-5-methyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]-1-buten-1-yl}-5,6-dimethyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
[CAS# 83783-61-3]

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-benzothiazol-3-ium-3-yl)-1-propanesulfonate
• Synonyms: 2-[2-[(3-ethyl-5-methylbenzoselenazol-2(3H)-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
• Molecular Formula: C₂₇H₃₂N₂O₃S₂Se
• Molecular Weight: 575.64
• CAS Registry Number: 83783-61-3
• EINECS: 280-796-6
• SMILES: [O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC
• InChI: 1S/C27H32N2O3S2Se/c1-6-21(17-27-28(7-2)23-13-18(3)9-10-25(23)35-27)16-26-29(11-8-12-34(30,31)32)22-14-19(4)20(5)15-24(22)33-26/h9-10,13-17H,6-8,11-12H2,1-5H3
• InChIKey: VUNAOGLHAINCEQ-UHFFFAOYSA-N