RefChem:118665

4-[5-chloro-2-[2-[[5-chloro-3-(3-sulfobutyl)-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate;N,N-diethylethanamine

Also Known As: EINECS 263-940-2|Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|Hydrogen 5-chloro-2-(2-((5-chloro-3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)

Molecular Formula	C33H45Cl2N3O6S4
Molecular Weight	777.1568 g/mol
LogP	8.08
Topological Polar Surface Area	121.93 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	14
Exact Mass	777.1568
Heavy Atoms	48
Complexity	1835.2

Chemical Identifiers

CAS Number	63148-88-9
SMILES	CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC(C)S(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)Cl)CCC(C)S(=O)(=O)O.CCN(CC)CC