134127-48-3
Product Name:
1H-Benz[e]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
Formula:
C47H47ClN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 755.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 754.2995922 g/mol |
| Monoisotopic Mass | 754.2995922 g/mol |
| Topological Polar Surface Area | 71.8 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1360 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |