6420-04-8
Product Name:
disodium (3Z)-5-methyl-3-[[2-methyl-4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
Formula:
C32H26N6Na2O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 684.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 684.13790693 g/mol |
| Monoisotopic Mass | 684.13790693 g/mol |
| Topological Polar Surface Area | 208 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |