Basic information
- CAS
19314-66-0- Standard SMILES
CCCCCc1cc(OC(=O)c2c(CCCCC)cc(O)cc2OC)cc(O)c1C(=O)O- InChIKey
FMCKRJSNUOIOOJ-UHFFFAOYSA-N- Molecular formula
- C25H32O7
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-4-(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
- IUPAC
- 2-hydroxy-4-(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid
- English name
- 4-[(4-Hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentylsalicylic acid
- Molecular formula
- C25H32O7
- Molecular weight
- 444.52
Names & synonyms
19314-66-02-Hydroxy-4-(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acidDihydropicrolichenic acid4-[(4-Hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentylsalicylic acidBenzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy]-6-pentyl-
Database identifiers
- CAS
19314-66-0- Nikkaji
- J188.184A
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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