methyl 4-butan-2-yl-2-methyl-benzoate

Systemtic Name: methyl 4-butan-2-yl-2-methyl-benzoate Openeye Name: methyl 2-methyl-4-sec-butyl-benzoate CAS Name: 4-butan-2-yl-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-butan-2-yl-2-methylbenzoate Traditional Name: 2-methyl-4-sec-butyl-benzoic acid methyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-5-9(2)11-6-7-12(10(3)8-11)13(14)15-4/h6-9H,5H2,1-4H3