1-Butan-2-yl-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Basic information
- CAS
33512-39-9- Standard SMILES
CCC(C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2- InChIKey
WXBLHJBPFAUMPI-UHFFFAOYSA-N- Molecular formula
- C19H17Cl3O5
- Average molar mass
- 431.7 g/mol
Names & identifiers
- Preferred name
- 1-Butan-2-yl-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
- IUPAC
- 1-butan-2-yl-2,8,10-trichloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
- English name
- (-)-2,4,7-Trichloro-3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
- Molecular weight
- 0
Names & synonyms
SCHEMBL29484928Shirin(-)-Shirin(-)-2,4,7-Trichloro-3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one
Database identifiers
- CAS
33512-39-9- Nikkaji
- J17.813F
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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