pentan-2-yl 3-methylbenzoate

Systemtic Name: pentan-2-yl 3-methylbenzoate Openeye Name: 1-methylbutyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-methylbenzoate Traditional Name: 3-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=C1)C

Isomeric SMILES

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

InChI

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