5844-07-5
Product Name:
N-Ethyl-N-[4-[[4-[N-ethyl-N-(2-sodiosulfoethyl)amino]-2,5-dimethylphenyl][4-(diethylamino)phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-2-sulfonatoethanaminium
Formula:
C34H47N3NaO6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 680.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 680.28039786 g/mol |
| Monoisotopic Mass | 680.28039786 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 1 |
| Complexity | 1350 |
| 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 |