[5-acetyloxy-2-(bromomethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-chromen-7-yl] ethanoate

Systemtic Name: [5-acetyloxy-2-(bromomethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [5-acetoxy-2-(bromomethyl)-3-(4-methoxyphenyl)-4-oxo-chromen-7-yl] acetate CAS Name: acetic acid [5-acetyloxy-2-(bromomethyl)-3-(4-methoxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-acetyloxy-2-(bromomethyl)-3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate Traditional Name: acetic acid [5-acetoxy-2-(bromomethyl)-4-keto-3-(4-methoxyphenyl)chromen-7-yl] ester Formula: C21H17BrO7 MolecularWeight: 461.25948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C(=C1)OC(=C(C2=O)C3=CC=C(C=C3)OC)CBr)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C2C(=C1)OC(=C(C2=O)C3=CC=C(C=C3)OC)CBr)OC(=O)C

InChI

InChI=1S/C21H17BrO7/c1-11(23)27-15-8-16(28-12(2)24)20-17(9-15)29-18(10-22)19(21(20)25)13-4-6-14(26-3)7-5-13/h4-9H,10H2,1-3H3