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53213-88-0 | 3,3'-DIHEPTYLTHIACARBOCYANINE IODIDE
CAS No: 53213-88-0 Catalog No: AG00DHSU MDL No:
Product Description
Catalog Number:
AG00DHSU
Chemical Name:
3,3'-DIHEPTYLTHIACARBOCYANINE IODIDE
CAS Number:
53213-88-0
IUPAC Name:
(2Z)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C31H41N2S2.HI/c1-3-5-7-9-15-24-32-26-18-11-13-20-28(26)34-30(32)22-17-23-31-33(25-16-10-8-6-4-2)27-19-12-14-21-29(27)35-31;/h11-14,17-23H,3-10,15-16,24-25H2,1-2H3;1H/q+1;/p-1
InChI Key:
QJIIDBGAPSEKOV-UHFFFAOYSA-M
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
632.176g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.707g/mol
Monoisotopic Mass:
632.176g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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