[(1S,2R)-2-bromanyl-6-methoxy-3,3-dimethyl-7-oxidanylidene-1,2-dihydropyrano[2,3-c]xanthen-1-yl] ethanoate

Systemtic Name: [(1S,2R)-2-bromanyl-6-methoxy-3,3-dimethyl-7-oxidanylidene-1,2-dihydropyrano[2,3-c]xanthen-1-yl] ethanoate Openeye Name: [(1S,2R)-2-bromo-6-methoxy-3,3-dimethyl-7-oxo-1,2-dihydropyrano[2,3-c]xanthen-1-yl] acetate CAS Name: acetic acid [(1S,2R)-2-bromo-6-methoxy-3,3-dimethyl-7-oxo-1,2-dihydropyrano[2,3-c]xanthen-1-yl] ester IUPAC Name: [(1S,2R)-2-bromo-6-methoxy-3,3-dimethyl-7-oxo-1,2-dihydropyrano[2,3-c]xanthen-1-yl] acetate Traditional Name: acetic acid [(1S,2R)-2-bromo-7-keto-6-methoxy-3,3-dimethyl-1,2-dihydropyrano[2,3-c]xanthen-1-yl] ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC2=CC(=C3C(=C12)OC4=CC=CC=C4C3=O)OC)(C)C)Br

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](C(OC2=CC(=C3C(=C12)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(25-4)15-17(24)11-7-5-6-8-12(11)27-18(15)16/h5-9,19-20H,1-4H3/t19-,20+/m0/s1