Basic information
- Standard SMILES
COC(=O)CCCCCOc1cccc(CCCCCCOS(C)(=O)=O)c1CCC(=O)OC- InChIKey
RQJAZXXXWVFFFB-UHFFFAOYSA-N- Molecular formula
- C24H38O8S
- Average molar mass
- 486.6 g/mol
Names & identifiers
- Preferred name
- 2-[(6-Methoxy-6-oxohexyl)oxy]-6-[6-(methylsulfonyl)oxyhexyl]benzenepropanoic acid methyl ester
- IUPAC
- methyl 6-[2-(3-methoxy-3-oxopropyl)-3-(6-methylsulfonyloxyhexyl)phenoxy]hexanoate
Names & synonyms
SCHEMBL8799337RQJAZXXXWVFFFB-UHFFFAOYSA-N2-[(6-methoxy-6-oxohexyl)oxy]-6-[6-(methylsulfonyl)oxyhexyl]benzenepropanoic acid methyl ester2-[(6-Methoxy-6-oxohexyl)oxy]-6-[6-[(methylsulfonyl)oxy]hexyl]benzenepropanoic Acid Methyl Ester
Database identifiers
- PubChem CID
- 54280331
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 643
Related reactions
5 records
Compound notes
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