ammonium--2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1)
Chemical Structure Depiction of
ammonium--2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1)
ammonium--2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0083-0095 |
| Compound Name: | ammonium--2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1) |
| Molecular Weight: | 557.26 |
| Molecular Formula: | C21 H15 Br2 O5 S |
| Salt: | NH4+ |
| Smiles: | CC1=C/C(C=C(C1=O)[Br])=C(/c1cc(C)c(c(c1)[Br])O)c1ccccc1S([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9287 |
| logD: | 2.9155 |
| logSw: | -3.3651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.927 |
| InChI Key: | HJZFRHKAXRLQSG-XMHGGMMESA-M |