2-methylpentyl 3-methylbenzoate

Systemtic Name: 2-methylpentyl 3-methylbenzoate Openeye Name: 2-methylpentyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-methylpentyl ester IUPAC Name: 2-methylpentyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-methylpentyl ester Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-4-6-12(3)10-16-14(15)13-8-5-7-11(2)9-13/h5,7-9,12H,4,6,10H2,1-3H3