60760-42-1
Product Name:
1-(3-Sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl] naphtho[1,2-d]thiazolium hydroxide, inner salt, triethylammonium salt
Formula:
C31H39N3O6S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 677.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 677.17217067 g/mol |
| Monoisotopic Mass | 677.17217067 g/mol |
| Topological Polar Surface Area | 192 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1050 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |