Basic information
- CAS
128862-28-2- Standard SMILES
CO\C=C(C(=O)OC)/C(C)=C/C=C/c1ccc(Cl)c(OC)c1- InChIKey
ZDIQYKMDNQULMX-DVXCKLMHSA-N- Molecular formula
- C17H19ClO4
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0971868
Overview
Methyl (2E,3E,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate has been reported in Strobilurus tenacellus with data available.
Names & identifiers
- Preferred name
- Methyl (2E,3E,5E)a6a(4achloroa3amethoxyphenyl)a2a (methoxymethylidene)a3amethylhexaa3,5adienoate
- IUPAC
- methyl (2E,3E,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
Names & synonyms
SCHEMBL9065999DTXSID401043590128862-28-2Methyl (2E,3E,5E)a6a(4achloroa3amethoxyphenyl)a2a (methoxymethylidene)a3amethylhexaa3,5adienoate
Database identifiers
- CAS
128862-28-2- PubChem CID
- 6509869
- DTXSID
DTXSID401043590
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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