[(9R,10S)-9-bromanyl-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate

Systemtic Name: [(9R,10S)-9-bromanyl-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate Openeye Name: [(9R,10S)-9-bromo-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate CAS Name: benzoic acid [(9R,10S)-9-bromo-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester IUPAC Name: [(9R,10S)-9-bromo-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate Traditional Name: benzoic acid [(9R,10S)-9-bromo-2-keto-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] ester Formula: C21H17BrO5 MolecularWeight: 429.26068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C21H17BrO5/c1-21(2)19(22)18(26-20(24)13-6-4-3-5-7-13)16-14(27-21)10-8-12-9-11-15(23)25-17(12)16/h3-11,18-19H,1-2H3/t18-,19+/m0/s1