[(3S,4R)-3-bromanyl-5-methoxy-2,2-dimethyl-6-oxidanylidene-3,4-dihydropyrano[3,2-b]xanthen-4-yl] ethanoate

Systemtic Name: [(3S,4R)-3-bromanyl-5-methoxy-2,2-dimethyl-6-oxidanylidene-3,4-dihydropyrano[3,2-b]xanthen-4-yl] ethanoate Openeye Name: [(3S,4R)-3-bromo-5-methoxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-b]xanthen-4-yl] acetate CAS Name: acetic acid [(3S,4R)-3-bromo-5-methoxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-b]xanthen-4-yl] ester IUPAC Name: [(3S,4R)-3-bromo-5-methoxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-b]xanthen-4-yl] acetate Traditional Name: acetic acid [(3S,4R)-3-bromo-6-keto-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-4-yl] ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC2=C1C(=C3C(=C2)OC4=CC=CC=C4C3=O)OC)(C)C)Br

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C(OC2=C1C(=C3C(=C2)OC4=CC=CC=C4C3=O)OC)(C)C)Br

InChI

InChI=1S/C21H19BrO6/c1-10(23)26-19-16-14(28-21(2,3)20(19)22)9-13-15(18(16)25-4)17(24)11-7-5-6-8-12(11)27-13/h5-9,19-20H,1-4H3/t19-,20+/m1/s1