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57532-33-9

57532-33-9 structural image
Product Name: 5-METHYL-2-(2-((5-PHENYL-3-(4-SULFOBUTYL)-2(3H)-BENZOXAZOLYLIDENE)METHYL)-1-BUTENYL)-3-(4-SULFOBUTYL)-BENZOXAZOLIUM HYDROXIDE, INNER SALT, TRIETHYLAMINE SALT
Formula: C45H55N3O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 832.1 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 18
Exact Mass 831.35870813 g/mol
Monoisotopic Mass 831.35870813 g/mol
Topological Polar Surface Area 154 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1420
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes