3-(2-Carboxyethyl)-2-[(1E)-2-{(Z)-[3-(2-carboxyethyl)-5-methyl-1,3-benzoselenazol-2(3H)-ylidene]methyl}-1-buten-1-yl]-5-methyl-1,3-benzoselenazol-3-ium bromide
[CAS# 89703-05-9]

Identification

• Name: 3-(2-Carboxyethyl)-2-[(1E)-2-{(Z)-[3-(2-carboxyethyl)-5-methyl-1,3-benzoselenazol-2(3H)-ylidene]methyl}-1-buten-1-yl]-5-methyl-1,3-benzoselenazol-3-ium bromide
• Synonyms: 3-(2-Carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-(3H)-benzoselenazol-2-ylidene)methyl)but-1-enyl)-5-methylbenzoselenazolium bromide; Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-5-methyl-, bromide
• Molecular Formula: C₂₇H₂₉BrN₂O₄Se₂
• Molecular Weight: 683.35
• CAS Registry Number: 89703-05-9
• EINECS: 289-516-7
• SMILES: [Br-].O=C(O)CCN1c4cc(ccc4[Se]/C1=C\C(=C\c3[se]c2ccc(cc2[n+]3CCC(=O)O)C)CC)C
• InChI: 1S/C27H28N2O4Se2.BrH/c1-4-19(15-24-28(11-9-26(30)31)20-13-17(2)5-7-22(20)34-24)16-25-29(12-10-27(32)33)21-14-18(3)6-8-23(21)35-25;/h5-8,13-16H,4,9-12H2,1-3H3,(H-,30,31,32,33);1H
• InChIKey: SKHZPPORJXRKBC-UHFFFAOYSA-N