AC1M4D9T

3-[2-[2-[(5-methoxy-3-methyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Also Known As: EINECS 259-834-0|5-Methoxy-3-methyl-2-(2-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzoxazolium|3-(2-{2-[(5-methoxy-3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate|3-[2-[2-[(5-methoxy-3-methyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate|3-[2-[2-Ethyl-3-(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)-2-propen-1-ylidene]-1,3-benzothiazol-3(2H)-yl]-1-propanesulfonate|5-methoxy-3-methyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]benzoxazolium|Benzoxazolium,5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-,inner salt

Molecular Formula	C24H26N2O5S2
Molecular Weight	486.12833 g/mol
LogP	4.2963
Topological Polar Surface Area	82.78 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	486.12833
Monoisotopic Mass	486.12833
Heavy Atoms	33
Complexity	1342.1385

Chemical Identifiers

CAS Number	55811-26-2
SMILES	CCC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)OC)C