AC1O5BEX

3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate

Also Known As: EINECS 266-543-2|2-(2-((5,6-Dimethoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5-methoxybenzoxazolium|Benzoxazolium, 2-(2-((5,6-dimethoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-3-ethyl-5-methoxy-, hydroxide, inner salt|2-[2-[[5,6-dimethoxy-3- -3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5-methoxybenzoxazolium|3-[2-[(E)-2-[(E)-(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate|3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate

Molecular Formula	C27H32N2O7SSe
Molecular Weight	608.10956 g/mol
LogP	3.6991
Topological Polar Surface Area	101.24 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	608.10956
Monoisotopic Mass	608.10956
Heavy Atoms	38
Complexity	1494.8093

Chemical Identifiers

CAS Number	67014-91-9
SMILES	CC/C(=C\C1=[N+](C2=CC(=C(C=C2[Se]1)OC)OC)CCCS(=O)(=O)[O-])/C=C/3\N(C4=C(O3)C=CC(=C4)OC)CC