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206129-44-4 | 3-HEXADECYL-2-((E)-3-[3-HEXADECYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-1-PROPENYL)-1,3-BENZOTHIAZOL-3-IUM PERCHLORATE
CAS No: 206129-44-4 Catalog No: AG00BSYE MDL No:
Product Description
Catalog Number:
AG00BSYE
Chemical Name:
3-HEXADECYL-2-((E)-3-[3-HEXADECYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-1-PROPENYL)-1,3-BENZOTHIAZOL-3-IUM PERCHLORATE
CAS Number:
206129-44-4
IUPAC Name:
(2Z)-3-hexadecyl-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;perchlorate
InChI:
InChI=1S/C49H77N2S2.ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-42-50-44-36-29-31-38-46(44)52-48(50)40-35-41-49-51(45-37-30-32-39-47(45)53-49)43-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)5/h29-32,35-41H,3-28,33-34,42-43H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
AUTHSUHYDJCKQL-UHFFFAOYSA-M
Properties
Complexity:
957
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
856.501g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
857.735g/mol
Monoisotopic Mass:
856.501g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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