39201-42-8
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 |