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43208-90-8 | hydrogen 5-phenyl-2-[2-[[5-phenyl-3-[3-(sulphonatooxy)propyl]-3H-benzoxazol-2-ylidene]methyl]but-2-enyl]-3-[3-(sulphonatooxy)propyl]benzoxazolium
CAS No: 43208-90-8 Catalog No: AG00DYEA MDL No:
Product Description
Catalog Number:
AG00DYEA
Chemical Name:
hydrogen 5-phenyl-2-[2-[[5-phenyl-3-[3-(sulphonatooxy)propyl]-3H-benzoxazol-2-ylidene]methyl]but-2-enyl]-3-[3-(sulphonatooxy)propyl]benzoxazolium
CAS Number:
43208-90-8
IUPAC Name:
3-[5-phenyl-2-[(Z)-2-[(Z)-[5-phenyl-3-(3-sulfooxypropyl)-1,3-benzoxazol-2-ylidene]methyl]but-2-enyl]-1,3-benzoxazol-3-ium-3-yl]propyl sulfate
InChI:
InChI=1S/C37H36N2O10S2/c1-2-27(23-36-38(19-9-21-46-50(40,41)42)32-25-30(15-17-34(32)48-36)28-11-5-3-6-12-28)24-37-39(20-10-22-47-51(43,44)45)33-26-31(16-18-35(33)49-37)29-13-7-4-8-14-29/h2-8,11-18,23,25-26H,9-10,19-22,24H2,1H3,(H-,40,41,42,43,44,45)/b27-2+,36-23-
InChI Key:
WQYPOBUNZCXDKJ-FSXYLFKXSA-N
EC Number:
256-143-6
Properties
Complexity:
1390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
732.181g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
732.819g/mol
Monoisotopic Mass:
732.181g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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