methyl 3-(3-methylbutanoyl)-4-oxidanyl-benzoate

Systemtic Name: methyl 3-(3-methylbutanoyl)-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate CAS Name: 4-hydroxy-3-(3-methyl-1-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-(3-methylbutanoyl)benzoate Traditional Name: 4-hydroxy-3-isovaleryl-benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-8(2)6-12(15)10-7-9(13(16)17-3)4-5-11(10)14/h4-5,7-8,14H,6H2,1-3H3