ammonium--2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1)
Chemical Structure Depiction of
ammonium--2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1)
ammonium--2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0083-0094 |
| Compound Name: | ammonium--2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate (1/1) |
| Molecular Weight: | 715.05 |
| Molecular Formula: | C21 H13 Br4 O5 S |
| Salt: | NH4+ |
| Smiles: | CC1C(/C=C(C(C=1[Br])=O)[Br])=C(c1ccccc1S([O-])(=O)=O)/c1cc(c(c(c1C)[Br])O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5033 |
| logD: | 4.0091 |
| logSw: | -4.2988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.927 |
| InChI Key: | INBQSOALTMPZQK-GHRIWEEISA-M |