1,1'-{[2-methyl-6-(4-methylbenzene-1-sulfonyl)hexa-2,4-diene-3,4-diyl]disulfonyl}dibenzene
Chemical Structure Depiction of
1,1'-{[2-methyl-6-(4-methylbenzene-1-sulfonyl)hexa-2,4-diene-3,4-diyl]disulfonyl}dibenzene
1,1'-{[2-methyl-6-(4-methylbenzene-1-sulfonyl)hexa-2,4-diene-3,4-diyl]disulfonyl}dibenzene
Compound characteristics
| Compound ID: | 1549-0102 |
| Compound Name: | 1,1'-{[2-methyl-6-(4-methylbenzene-1-sulfonyl)hexa-2,4-diene-3,4-diyl]disulfonyl}dibenzene |
| Molecular Weight: | 530.68 |
| Molecular Formula: | C26 H26 O6 S3 |
| Smiles: | CC(C)=C(/C(=C/CS(c1ccc(C)cc1)(=O)=O)S(c1ccccc1)(=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6574 |
| logD: | 4.6574 |
| logSw: | -4.4563 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.276 |
| InChI Key: | DUVJHCLJGICMSZ-UHFFFAOYSA-N |