3,3′-Diheptylthiacarbocyanine iodide
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3,3′-Diheptylthiacarbocyanine iodide
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CAS No:
53213-88-0
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Formula:
C31H41IN2S2
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Chemical Name:
3,3′-Diheptylthiacarbocyanine iodide
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Synonyms:
(2Z)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole,iodide;
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CAS No:
Computed Properties
Molecular Weight:632.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:632.17559
Monoisotopic Mass:632.17559
Topological Polar Surface Area:60.7
Heavy Atom Count:36
Complexity:608
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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