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70446-12-7

70446-12-7 structural image
Product Name: 3-ETHYL-2-((E)-2-[3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-(PHENYLSULFANYL)-1-CYCLOHEXEN-1-YL]ETHENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula: C34H33IN2S3
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COMPUTED DESCRIPTORS

Molecular Weight 692.7 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 692.08506 g/mol
Monoisotopic Mass 692.08506 g/mol
Topological Polar Surface Area 86 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 899
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes