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401947-51-1 | 3-(3-METHYL-2-BENZOTHIAZOLYLIO)-7-OCTADECYLOXY-COUMARIN METHOSULFATE
CAS No: 401947-51-1 Catalog No: AG00DDNB MDL No:
Product Description
Catalog Number:
AG00DDNB
Chemical Name:
3-(3-METHYL-2-BENZOTHIAZOLYLIO)-7-OCTADECYLOXY-COUMARIN METHOSULFATE
CAS Number:
401947-51-1
IUPAC Name:
3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-7-octadecoxychromen-2-one;methyl sulfate
InChI:
InChI=1S/C35H48NO3S.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38-29-24-23-28-26-30(35(37)39-32(28)27-29)34-36(2)31-21-18-19-22-33(31)40-34;1-5-6(2,3)4/h18-19,21-24,26-27H,3-17,20,25H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
OOYLMAWZPUQSIY-UHFFFAOYSA-M
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
673.311g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
673.924g/mol
Monoisotopic Mass:
673.311g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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