[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C26H19BrO6 MolecularWeight: 507.32946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H19BrO6/c1-2-15-11-19-23(13-22(15)33-26(29)16-3-6-18(27)7-4-16)32-14-20(25(19)28)17-5-8-21-24(12-17)31-10-9-30-21/h3-8,11-14H,2,9-10H2,1H3