RefChem:832020

sodium 3-[2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Also Known As: Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, sodium salt|1-(3-Sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)naphtho(1,2-d)thiazolium hydroxide inner salt, sodium salt|Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, sodium salt (1:1)|Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt, sodium salt|1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3h)-benzothiazolylidene)methyl)-naphtho(1,2-d)thiazolium inner salt sodium salt|Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, hydroxide, inner salt, sodium salt|Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt, sodium salt (1:1)|sodium 3-(2-{[3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3h)-ylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate|sodium 3-[2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Molecular Formula	C25H23N2NaO6S4
Molecular Weight	598.0337 g/mol
LogP	1.13
Topological Polar Surface Area	121.52 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	598.0337
Heavy Atoms	38
Complexity	1735.4

Chemical Identifiers

CAS Number	63149-36-0
SMILES	C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+]