Tetrachlorotetraiodofluorescein | SBID = 164 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 76.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 8.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 415.6 | ||
| Sum Formula: | C20H4Cl4I4O5 | ||
| M / g/mol: | 973.665 | ||
| Complexity: | 816.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: dye
- Name: Tetrachlorotetraiodofluorescein
- Preferred Abbreviation: Tetrachlorotetraiodofluorescein
- IUPAC Name: 1',2',4,7-tetrachloro-3',6'-dihydroxy-4',5',7',8'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
- CAS:
- CID: 129640605
- InChiKey: LIEYQRAJSZVZKO-UHFFFAOYSA-N
- InChi: InChI=1S/C20H4Cl4I4O5/c21-3-1-2-4(22)6-5(3)19(31)33-20(6)7-9(23)10(24)15(29)13(27)17(7)32-18-8(20)11(25)12(26)16(30)14(18)28/h1-2,29-30H
- CanoSmiles: C1=CC(=C2C(=C1Cl)C(=O)OC23C4=C(C(=C(C(=C4Cl)Cl)O)I)OC5=C3C(=C(C(=C5I)O)I)I)Cl
- IsoSmiles: C1=CC(=C2C(=C1Cl)C(=O)OC23C4=C(C(=C(C(=C4Cl)Cl)O)I)OC5=C3C(=C(C(=C5I)O)I)I)Cl
