[(9R,10S)-9-bromanyl-5-methoxy-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate

Systemtic Name: [(9R,10S)-9-bromanyl-5-methoxy-8,8-dimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate Openeye Name: [(9R,10S)-9-bromo-5-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate CAS Name: benzoic acid [(9R,10S)-9-bromo-5-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester IUPAC Name: [(9R,10S)-9-bromo-5-methoxy-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-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] ester Formula: C22H19BrO6 MolecularWeight: 459.28666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)OC(=O)C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)OC(=O)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C22H19BrO6/c1-22(2)20(23)19(28-21(25)12-7-5-4-6-8-12)17-15(29-22)11-14(26-3)13-9-10-16(24)27-18(13)17/h4-11,19-20H,1-3H3/t19-,20+/m0/s1