[(3S,4R)-3-bromanyl-2,2-dimethyl-8-oxidanylidene-3,4-dihydropyrano[3,2-g]chromen-4-yl] benzoate

Systemtic Name: [(3S,4R)-3-bromanyl-2,2-dimethyl-8-oxidanylidene-3,4-dihydropyrano[3,2-g]chromen-4-yl] benzoate Openeye Name: [(3S,4R)-3-bromo-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] benzoate CAS Name: benzoic acid [(3S,4R)-3-bromo-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g][1]benzopyran-4-yl] ester IUPAC Name: [(3S,4R)-3-bromo-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl] benzoate Traditional Name: benzoic acid [(3S,4R)-3-bromo-8-keto-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-4-yl] ester Formula: C21H17BrO5 MolecularWeight: 429.26068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C21H17BrO5/c1-21(2)19(22)18(26-20(24)12-6-4-3-5-7-12)14-10-13-8-9-17(23)25-15(13)11-16(14)27-21/h3-11,18-19H,1-2H3/t18-,19+/m1/s1