(3,3,5-trimethyl-6-oxidanylidene-2-phenyl-2H-pyran-4-yl) 4-bromanylbenzoate

Systemtic Name: (3,3,5-trimethyl-6-oxidanylidene-2-phenyl-2H-pyran-4-yl) 4-bromanylbenzoate Openeye Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) ester IUPAC Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (6-keto-3,3,5-trimethyl-2-phenyl-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=CC=C2)(C)C)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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