4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl bis(4-methylbenzene-1-sulfonate)
4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8004-7120 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C24 H20 O8 S2 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2OS(c1ccc(C)cc1)(=O)=O)OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7659 |
| logD: | 4.7659 |
| logSw: | -4.7008 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.113 |
| InChI Key: | DNDOBHASCOXGSL-UHFFFAOYSA-N |