methyl 4-oxidanyl-3-pentanoyl-benzoate

Systemtic Name: methyl 4-oxidanyl-3-pentanoyl-benzoate Openeye Name: methyl 4-hydroxy-3-pentanoyl-benzoate CAS Name: 4-hydroxy-3-(1-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-pentanoylbenzoate Traditional Name: 4-hydroxy-3-valeryl-benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-3-4-5-11(14)10-8-9(13(16)17-2)6-7-12(10)15/h6-8,15H,3-5H2,1-2H3