methyl 3-(2-methylpropyl)-4-oxidanyl-benzoate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-isobutyl-benzoate CAS Name: 4-hydroxy-3-(2-methylpropyl)benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-(2-methylpropyl)benzoate Traditional Name: 4-hydroxy-3-isobutyl-benzoic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-8(2)6-10-7-9(12(14)15-3)4-5-11(10)13/h4-5,7-8,13H,6H2,1-3H3