C31H28N2O4S3

3-[2-[3-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)-2-(furan-2-yl)prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

Also Known As: Naphtho[1,2-d]thiazolium, 2-[3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-(2-furanyl)-1-propenyl]-1-(3-sulfopropyl)-, inner salt|2-(3-(3-Ethyl-5-methyl-2-benzothiazolinylidene)-2-(2-furyl)-1-propenyl)-1-(3-sulfopropyl)naphtho(1,2-d)thiazolium, hydroxide, inner salt|Naphtho(1,2-d)thiazolium, 2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-(2-furanyl)-1-propen-1-yl)-1-(3-sulfopropyl)-, inner salt|Naphtho(1,2-d)thiazolium, 2-(3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-(2-furanyl)-1-propenyl)-1-(3-sulfopropyl)-, inner salt|Naphtho[1,2-d]thiazolium, 2-[3-(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)-2-(2-furanyl)-1-propenyl]-1-(3-sulfopropyl)-, hydroxide, inner salt

Molecular Formula	C31H28N2O4S3
Molecular Weight	588.1211 g/mol
LogP	7.19
Topological Polar Surface Area	77.46 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	588.1211
Heavy Atoms	40
Complexity	1886.9

Chemical Identifiers

CAS Number	68239-17-8
SMILES	CCN1C2=C(C=CC(=C2)C)SC1=CC(=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)[O-])C6=CC=CO6