RefChem:118549

3-[2-[2-[[3-(2-carboxyethyl)-5-methyl-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5-methyl-1,3-benzoselenazol-3-yl]propanoic acid bromide

Also Known As: Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-5-methyl-, bromide|Benzoselenazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene]methyl]-1-buten-1-yl]-5-methyl-, bromide (1:1)|3-(2-Carboxyethyl)-2-(2-{[3-(2-carboxyethyl)-5-methyl-1,3-benzoselenazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-5-methyl-1,3-benzoselenazol-3-ium bromide|Benzoselenazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-methyl-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-5-methyl-, bromide (1:1)|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	683.9641 g/mol
LogP	0.23904
Topological Polar Surface Area	81.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	683.9641
Monoisotopic Mass	683.9641
Heavy Atoms	36
Complexity	782.0

Chemical Identifiers

CAS Number	89703-05-9
SMILES	CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)C)CCC(=O)O)C=C3N(C4=C([Se]3)C=CC(=C4)C)CCC(=O)O.[Br-]
InChIKey	SKHZPPORJXRKBC-UHFFFAOYSA-N