[(E)-4-chloranylbut-2-enyl] 2,4,6-trimethylbenzoate

Systemtic Name: [(E)-4-chloranylbut-2-enyl] 2,4,6-trimethylbenzoate Openeye Name: [(E)-4-chlorobut-2-enyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(E)-4-chlorobut-2-enyl] ester IUPAC Name: [(E)-4-chlorobut-2-enyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(E)-4-chlorobut-2-enyl] ester Formula: C14H17ClO2 MolecularWeight: 252.73658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC=CCCl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OC/C=C/CCl)C

InChI

InChI=1S/C14H17ClO2/c1-10-8-11(2)13(12(3)9-10)14(16)17-7-5-4-6-15/h4-5,8-9H,6-7H2,1-3H3/b5-4+