methyl 4-pentylbenzoate

Systemtic Name: methyl 4-pentylbenzoate Openeye Name: methyl 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid methyl ester IUPAC Name: methyl 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid methyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18O2/c1-3-4-5-6-11-7-9-12(10-8-11)13(14)15-2/h7-10H,3-6H2,1-2H3