RefChem:118611

3-[2-[2-[[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5-chloro-1,3-benzothiazol-3-yl]propanoate

Also Known As: EINECS 231-182-1|Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-5-chloro-, inner salt|Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-chloro-, inner salt|Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-chloro-, inner salt|Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, inner salt

Molecular Formula	C25H22Cl2N2O4S2
Molecular Weight	548.0398 g/mol
LogP	5.3574
Topological Polar Surface Area	84.55 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	548.0398
Monoisotopic Mass	548.0398
Heavy Atoms	35
Complexity	1366.9958

Chemical Identifiers

CAS Number	7440-84-8
SMILES	CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC(=O)O)C=C3N(C4=C(S3)C=CC(=C4)Cl)CCC(=O)[O-]