202135-09-9
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202135-09-9
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CAS No:
202135-09-9
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Formula:
C37H49Cl2N3O6S4
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Chemical Name:
202135-09-9
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Synonyms:
AKOS000814409;202135-09-9;BENZOTHIAZOLIUM, 5-CHLORO-2-[[3-[[5-CHLORO-3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-2,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE]METHYL]-3-(3-SULFOPROPYL)-, INNER SALT, COMPOUND WITH N,N-DIETHYLETHANAMINE (1:1)
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CAS No:
Computed Properties
Molecular Weight:831.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:829.1881264
Monoisotopic Mass:829.1881264
Topological Polar Surface Area:196
Heavy Atom Count:52
Complexity:1300
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes