287183-28-2
Product Name:
2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-1-(4-SULFOBUTYL-2H-QUINOLINYLIDENE) ETHYLIDENE]-1-CYCLOPENTENE-1-YL]ETHENYL]-1(4-SULFOBUTYL)QUINOLINIUM], INNER SALT, MONOSODIUM SALT
Formula:
C35H38ClN2NaO6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 703.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 702.1601012 g/mol |
| Monoisotopic Mass | 702.1601012 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1290 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |