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

Systemtic Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] benzoate Openeye Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] benzoate CAS Name: benzoic acid [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] ester IUPAC Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] benzoate Traditional Name: benzoic acid [2-(4-bromophenyl)-6-keto-3,3,5-trimethyl-2H-pyran-4-yl] ester Formula: C21H19BrO4 MolecularWeight: 415.27716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3