3-(2-{2-[(3-Ethyl-5,6-dimethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]-1-buten-1-yl}-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl)-1-propanesulfonate
[CAS# 93857-70-6]

Identification

• Name: 3-(2-{2-[(3-Ethyl-5,6-dimethyl-1,3-benzoselenazol-2(3H)-ylidene)methyl]-1-buten-1-yl}-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl)-1-propanesulfonate
• Synonyms: 2-[2-[(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(3-sulphonatopropyl)benzoselenazolium
• Molecular Formula: C₂₈H₃₄N₂O₄SSe₂
• Molecular Weight: 652.57
• CAS Registry Number: 93857-70-6
• EINECS: 299-206-3
• SMILES: [O-]S(=O)(=O)CCC[n+]3c4cc(C)c(OC)cc4[se]c3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC
• InChI: 1S/C28H34N2O4SSe2/c1-7-21(15-27-29(8-2)22-12-18(3)19(4)14-25(22)36-27)16-28-30(10-9-11-35(31,32)33)23-13-20(5)24(34-6)17-26(23)37-28/h12-17H,7-11H2,1-6H3
• InChIKey: SMNNTVJXVKIOBS-UHFFFAOYSA-N