Basic information
- Standard SMILES
CCCc1c(OCCCCCCc2cccc(OCCCCCC(=O)O)c2CCC(=O)O)ccc2c1CCCC2=O- InChIKey
VMIRTMBMCMMEHE-UHFFFAOYSA-N- Molecular formula
- C34H46O7
- Average molar mass
- 566.7 g/mol
Names & identifiers
- Preferred name
- 2-[(5-Carboxypentyl)oxy]-6-[6-[(5,6,7,8-tetrahydro-5-oxo-1-propyl-2-naphthalenyl)oxy]hexyl]benzenepropanoic Acid
- IUPAC
- 6-[2-(2-carboxyethyl)-3-[6-[(5-oxo-1-propyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]hexyl]phenoxy]hexanoic acid
Names & synonyms
CHEMBL97634SCHEMBL9121344VMIRTMBMCMMEHE-UHFFFAOYSA-N2-[(5-Carboxypentyl)oxy]-6-[6-[(5,6,7,8-tetrahydro-5-oxo-1-propyl-2-naphthalenyl)oxy]hexyl]benzenepropanoic Acid
Database identifiers
- PubChem CID
- 9808046
- ChEMBL
CHEMBL97634
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 783
Related reactions
2 records
Compound notes
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