methyl 3-ethanoyl-4-oxidanyl-5-propyl-benzoate

Systemtic Name: methyl 3-ethanoyl-4-oxidanyl-5-propyl-benzoate Openeye Name: methyl 3-acetyl-4-hydroxy-5-propyl-benzoate CAS Name: 3-acetyl-4-hydroxy-5-propylbenzoic acid methyl ester IUPAC Name: methyl 3-acetyl-4-hydroxy-5-propylbenzoate Traditional Name: 3-acetyl-4-hydroxy-5-propyl-benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1O)C(=O)C)C(=O)OC

Isomeric SMILES

CCCC1=CC(=CC(=C1O)C(=O)C)C(=O)OC

InChI

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