Basic information
- Standard SMILES
CC(C)=CCC(OC(=O)C(Cl)(Cl)Cl)C1=CC(=O)c2c(O)ccc(O)c2C1=O- InChIKey
WMHGODXWEHOVFH-UHFFFAOYSA-N- Molecular formula
- C18H15Cl3O6
- Average molar mass
- 433.7 g/mol
- Monoisotopic mass
- 431.993421
Names & identifiers
- Preferred name
- 2-(1-Trichloroacetyloxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone
- IUPAC
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2,2,2-trichloroacetate
Names & synonyms
SCHEMBL8851972WMHGODXWEHOVFH-UHFFFAOYSA-N2-(1-trichloroacetyloxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone
Database identifiers
- PubChem CID
- 21468083
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 690
Related reactions
1 records
Compound notes
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