pentyl 3-methylbenzoate

Systemtic Name: pentyl 3-methylbenzoate Openeye Name: pentyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid pentyl ester IUPAC Name: pentyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid amyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCOC(=O)C1=CC(=CC=C1)C

InChI

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