pentan-3-yl 3-methylbenzoate

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

Isomeric SMILES

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

InChI

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