138623-83-3
Product Name:
3-(3-Sulfopropyl)-2-([3-[(3-sulfopropyl)-2-benzothiazolinylidene) methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl)benzothiazolium inner salt sodium salt
Formula:
C30H33N2NaO6S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 668.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 668.11191575 g/mol |
| Monoisotopic Mass | 668.11191575 g/mol |
| Topological Polar Surface Area | 192 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1160 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |