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 |