Basic information
- Standard SMILES
CCCc1c(OCCCCCCc2cccc(OCCCCC(=O)OC)c2CCC(=O)OC)ccc2c1OCCC2=O- InChIKey
GCHINCRWRCAULQ-UHFFFAOYSA-N- Molecular formula
- C34H46O8
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.31926842
Names & identifiers
- Preferred name
- 6-(5-methoxy-5-oxopentyloxy)-2-[6-[(3,4-dihydro-4-oxo-8-propyl-2H-1-benzopyran-7-yl)oxy]hexyl]benzenepropanoic acid methyl ester
- IUPAC
- methyl 5-[2-(3-methoxy-3-oxopropyl)-3-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenoxy]pentanoate
Names & synonyms
SCHEMBL9123465GCHINCRWRCAULQ-UHFFFAOYSA-N6-(5-methoxy-5-oxopentyloxy)-2-[6-[(3,4-dihydro-4-oxo-8-propyl-2H-1-benzopyran-7-yl)oxy]hexyl]benzenepropanoic acid methyl ester
Database identifiers
- PubChem CID
- 53830802
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 800
Related reactions
2 records
Compound notes
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