EINECS 263-301-8

4-[(2Z)-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate

Also Known As: EINECS 263-301-8|1-Methyl-2-(2-((5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium|4-[(2Z)-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate|4-[2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate|Naphtho[1,2-d]thiazolium,1-methyl-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-,inner salt

Molecular Formula	C34H32N2O4S2
Molecular Weight	596.18036 g/mol
LogP	7.4036
Topological Polar Surface Area	73.55 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	596.18036
Monoisotopic Mass	596.18036
Heavy Atoms	42
Complexity	1960.3611

Chemical Identifiers

CAS Number	61891-06-3
SMILES	CC/C(=C/C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCC(C)S(=O)(=O)[O-]