57532-33-9
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 |