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39201-42-8

39201-42-8 structural image
Product Name: 5-CHLORO-2-(2-[(5-CHLORO-3-(3-SULFOPROPYL)-2(3H)- BENZOXAZOLYLIDENE)METHYL]- 1-BUTENYL)-3-(3-SULFOPROPYL)- BENZOXAZOLIUM INNER SALT TRIETHYLAMINE SALT
Formula: C31H41Cl2N3O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 718.7 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 13
Exact Mass 717.1712130 g/mol
Monoisotopic Mass 717.1712130 g/mol
Topological Polar Surface Area 161 Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1130
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes