methyl 6-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

HCID 57201993
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Basic information

Standard SMILES
COC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2
InChIKey
UEHFBCOBVAUDFJ-UHFFFAOYSA-N
Molecular formula
C25H28O8S
Average molar mass
488.6 g/mol
Monoisotopic mass
488.15048902

Names & identifiers

Preferred name
methyl 6-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
IUPAC
methyl 6-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

Database identifiers

PubChem CID
57201993

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
114 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
34

Related reactions

1 records
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Compound notes

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