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138623-83-3

138623-83-3 structural image
Product Name: 3-(3-SULFOPROPYL)-2-([3-[(3-SULFOPROPYL)-2-BENZOTHIAZOLINYLIDENE) METHYL]-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE]METHYL)BENZOTHIAZOLIUM INNER SALT SODIUM SALT
Formula: C30H33N2NaO6S4
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COMPUTED DESCRIPTORS

Molecular Weight 668.9 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 668.11191575 g/mol
Monoisotopic Mass 668.11191575 g/mol
Topological Polar Surface Area 192 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1160
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes