3-(2-Carboxyethyl)-2-[2-[[3-(2-Carboxyethyl)-(3H)-Benzoselenazol-2-Ylidene]Methyl]But-1-Enyl]-5-Methylbenzoselenazolium Bromide
[CAS# 68758-81-6]

Identification

• Name: 3-(2-Carboxyethyl)-2-[2-[[3-(2-Carboxyethyl)-(3H)-Benzoselenazol-2-Ylidene]Methyl]But-1-Enyl]-5-Methylbenzoselenazolium Bromide
• Synonyms: 3-[2-[(E)-2-[(Z)-[3-(2-Carboxyethyl)-5-Methyl-1,3-Benzoselenazol-2-Ylidene]Methyl]But-1-Enyl]-1,3-Benzoselenazol-3-Ium-3-Yl]Propionic Acid Bromide; 3-(2-Carboxyethyl)-2-(2-((3-(2-Carboxyethyl)-(3H)-Benzoselenazol-2-Ylidene)Methyl)But-1-Enyl)-5-Methylbenzoselenazolium Bromide; 3-(2-Carboxyethyl)-2-(3-(3-(2-Carboxyethyl)Benzoselenazolinylidene)-2-Ethyl-1-Propenyl)-5-Methylbenzoselenazolium Bromide
• Molecular Formula: C₂₆H₂₇BrN₂O₄Se₂
• Molecular Weight: 669.33
• CAS Registry Number: 68758-81-6
• EINECS: 272-157-5
• SMILES: [Se]1C(N(C2=C1C=CC(=C2)C)CCC(O)=O)=CC(=CC4=[N+](C3=CC=CC=C3[Se]4)CCC(O)=O)CC.[Br-]
• InChI: 1S/C26H26N2O4Se2.BrH/c1-3-18(15-23-27(12-10-25(29)30)19-6-4-5-7-21(19)33-23)16-24-28(13-11-26(31)32)20-14-17(2)8-9-22(20)34-24;/h4-9,14-16H,3,10-13H2,1-2H3,(H-,29,30,31,32);1H
• InChIKey: YZYMMTNUVFCXMK-UHFFFAOYSA-N