methyl 3-prop-2-enyl-4-[2,2,2-tris(chloranyl)ethanoyloxy]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 3-prop-2-enyl-4-[2,2,2-tris(chloranyl)ethanoyloxy]cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 3-allyl-4-(2,2,2-trichloroacetyl)oxy-cyclohexa-1,5-diene-1-carboxylate CAS Name: 3-prop-2-enyl-4-(2,2,2-trichloro-1-oxoethoxy)-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-prop-2-enyl-4-(2,2,2-trichloroacetyl)oxycyclohexa-1,5-diene-1-carboxylate Traditional Name: 3-allyl-4-(2,2,2-trichloroacetyl)oxy-cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C13H13Cl3O4 MolecularWeight: 339.59892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C=C1)OC(=O)C(Cl)(Cl)Cl)CC=C

Isomeric SMILES

COC(=O)C1=CC(C(C=C1)OC(=O)C(Cl)(Cl)Cl)CC=C

InChI

InChI=1S/C13H13Cl3O4/c1-3-4-8-7-9(11(17)19-2)5-6-10(8)20-12(18)13(14,15)16/h3,5-8,10H,1,4H2,2H3