[2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] 4-bromanylbenzoate

Systemtic Name: [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] 4-bromanylbenzoate Openeye Name: [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] ester IUPAC Name: [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(4-chlorophenyl)-6-keto-3,3,5-trimethyl-2H-pyran-4-yl] ester Formula: C21H18BrClO4 MolecularWeight: 449.72222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrClO4/c1-12-17(26-20(25)14-4-8-15(22)9-5-14)21(2,3)18(27-19(12)24)13-6-10-16(23)11-7-13/h4-11,18H,1-3H3