351524-15-7
Product Name:
Benzothiazolium, 5-chloro-2-[3-[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-cyclopenten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt
Formula:
C25H25Cl2N2NaO6S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 669.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 667.9713708 g/mol |
| Monoisotopic Mass | 667.9713708 g/mol |
| Topological Polar Surface Area | 192 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |