methyl 5-hexanoyl-2-oxidanyl-benzoate

Systemtic Name: methyl 5-hexanoyl-2-oxidanyl-benzoate Openeye Name: methyl 5-hexanoyl-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-(1-oxohexyl)benzoic acid methyl ester IUPAC Name: methyl 5-hexanoyl-2-hydroxybenzoate Traditional Name: 5-caproyl-2-hydroxy-benzoic acid methyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)OC

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C14H18O4/c1-3-4-5-6-12(15)10-7-8-13(16)11(9-10)14(17)18-2/h7-9,16H,3-6H2,1-2H3