[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrClO5 MolecularWeight: 455.7268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)Br)OCC

InChI

InChI=1S/C20H20BrClO5/c1-3-9-26-19-16(22)10-14(11-18(19)25-4-2)20(24)27-12-17(23)13-5-7-15(21)8-6-13/h5-8,10-11H,3-4,9,12H2,1-2H3