138081-45-5
Product Name:
2-[2-[2-Chloro-3-[2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indolium hydroxide, inner salt, tripotassium salt
Formula:
C38H44ClK3N2O12S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 1001.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 11 |
| Exact Mass | 1000.0376817 g/mol |
| Monoisotopic Mass | 1000.0376817 g/mol |
| Topological Polar Surface Area | 269 Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1940 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |