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

Systemtic Name: methyl 3-(chloromethyl)-4-propyl-benzoate Openeye Name: methyl 3-(chloromethyl)-4-propyl-benzoate CAS Name: 3-(chloromethyl)-4-propylbenzoic acid methyl ester IUPAC Name: methyl 3-(chloromethyl)-4-propylbenzoate Traditional Name: 3-(chloromethyl)-4-propyl-benzoic acid methyl ester Formula: C12H15ClO2 MolecularWeight: 226.6993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO2/c1-3-4-9-5-6-10(12(14)15-2)7-11(9)8-13/h5-7H,3-4,8H2,1-2H3