Basic information
- Standard SMILES
COC(=O)CCC(C)=CCc1c(C=O)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2- InChIKey
GXVBQMJMNYUAFM-UHFFFAOYSA-N- Molecular formula
- C25H26O8S
- Average molar mass
- 486.5 g/mol
Names & identifiers
- Preferred name
- methyl 6-[6-formyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
- IUPAC
- methyl 6-[6-formyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
Database identifiers
- PubChem CID
- 57230381
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 881
Related reactions
1 records
Compound notes
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