5863-47-8
Product Name:
hydrogen N-[4-[[4-[butyl(2-sulphonatoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-N-(2-sulphonatoethyl)butylammonium, monosodium salt
Formula:
C39H50N3NaO7S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 757.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 17 |
| Exact Mass | 757.28313751 g/mol |
| Monoisotopic Mass | 757.28313751 g/mol |
| Topological Polar Surface Area | 159 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1280 |
| 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 |