pentan-2-yl 2-methylbenzoate

Systemtic Name: pentan-2-yl 2-methylbenzoate Openeye Name: 1-methylbutyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 1-methylbutyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCC(C)OC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C13H18O2/c1-4-7-11(3)15-13(14)12-9-6-5-8-10(12)2/h5-6,8-9,11H,4,7H2,1-3H3