152111-91-6
Product Name:
1,1'-BIS(4-SULFOBUTYL)-11-(4-ISOTHIOCYANATOPHENYLTHIO)-3,3,3',3'-TETRAMETHYL-10,12-TRI METHYLENEINDOTRICARBOCYANINE MONOSODIUM SALT
Formula:
C45H50N3NaO6S4
Synonyms:
1,1′-Bis(4-sulfobutyl)-11-(4-isothiocyanatophenylthio)-3,3,3′,3′-tetramethyl-10,12-tri methyleneindotricarbocyanine monosodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 880.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Exact Mass | 879.24801530 g/mol |
| Monoisotopic Mass | 879.24801530 g/mol |
| Topological Polar Surface Area | 207 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1770 |
| 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 |