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36528-80-0 | 3,3'-DIETHYL-9,11-NEOPENTYLENETHIATETRACARBOCYANINE IODIDE
CAS No: 36528-80-0 Catalog No: AG00CU4Y MDL No:
Product Description
Catalog Number:
AG00CU4Y
Chemical Name:
3,3'-DIETHYL-9,11-NEOPENTYLENETHIATETRACARBOCYANINE IODIDE
CAS Number:
36528-80-0
IUPAC Name:
(2Z)-3-ethyl-2-[[(3E)-3-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C32H35N2S2.HI/c1-5-33-26-15-10-12-17-28(26)35-30(33)19-9-7-8-14-24-20-25(23-32(3,4)22-24)21-31-34(6-2)27-16-11-13-18-29(27)36-31;/h7-21H,5-6,22-23H2,1-4H3;1H/q+1;/p-1
InChI Key:
LUDOBHXXKVQGQD-UHFFFAOYSA-M
Properties
Complexity:
926
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
638.129g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.67g/mol
Monoisotopic Mass:
638.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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