3-methylbutyl 5-methyl-2-oxidanyl-benzoate

Systemtic Name: 3-methylbutyl 5-methyl-2-oxidanyl-benzoate Openeye Name: isopentyl 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid isoamyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCCC(C)C

InChI

InChI=1S/C13H18O3/c1-9(2)6-7-16-13(15)11-8-10(3)4-5-12(11)14/h4-5,8-9,14H,6-7H2,1-3H3