ethyl 3-(chloromethyl)-4-propyl-benzoate

Systemtic Name: ethyl 3-(chloromethyl)-4-propyl-benzoate Openeye Name: ethyl 3-(chloromethyl)-4-propyl-benzoate CAS Name: 3-(chloromethyl)-4-propylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(chloromethyl)-4-propylbenzoate Traditional Name: 3-(chloromethyl)-4-propyl-benzoic acid ethyl ester Formula: C13H17ClO2 MolecularWeight: 240.72588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)OCC)CCl

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)OCC)CCl

InChI

InChI=1S/C13H17ClO2/c1-3-5-10-6-7-11(8-12(10)9-14)13(15)16-4-2/h6-8H,3-5,9H2,1-2H3