[2-(5-bromanylfuran-2-yl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzoate

Systemtic Name: [2-(5-bromanylfuran-2-yl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzoate Openeye Name: [2-(5-bromo-2-furyl)-4-oxo-chromen-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(5-bromo-2-furanyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(5-bromofuran-2-yl)-4-oxochromen-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(5-bromo-2-furyl)-4-keto-chromen-3-yl] ester Formula: C21H13BrO5 MolecularWeight: 425.22892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(O4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(O4)Br

InChI

InChI=1S/C21H13BrO5/c1-12-6-8-13(9-7-12)21(24)27-20-18(23)14-4-2-3-5-15(14)26-19(20)16-10-11-17(22)25-16/h2-11H,1H3