pentan-3-yl 2-methylbenzoate

Systemtic Name: pentan-3-yl 2-methylbenzoate Openeye Name: 1-ethylpropyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 1-ethylpropyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1=CC=CC=C1C

Isomeric SMILES

CCC(CC)OC(=O)C1=CC=CC=C1C

InChI

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