21973-92-2
Product Name:
N-Ethyl-N-[4-[[4-(diethylamino)phenyl](2,4-dimethyl-5-sulfonato-3-sodiosulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]ethanaminium
Formula:
C29H36N2O6S2.Na
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COMPUTED DESCRIPTORS
| Molecular Weight | 596.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 596.19907353 g/mol |
| Monoisotopic Mass | 596.19907353 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 2 |
| 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 | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |