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)
Available: 1615 mg
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mg
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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
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