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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCCC(C)C

InChI

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