6797-90-6
Product Name:
disodium 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis(5-nitrobenzenesulphonate)
Formula:
C33H29N6NaO12S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 808.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 8 |
| Exact Mass | 808.08455120 g/mol |
| Monoisotopic Mass | 808.08455120 g/mol |
| Topological Polar Surface Area | 305 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1690 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |