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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 2-bromanylbenzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C27H21BrO6 MolecularWeight: 521.35604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CC=C5Br

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C27H21BrO6/c1-2-5-17-12-19-24(14-23(17)34-27(30)18-6-3-4-7-21(18)28)33-15-20(26(19)29)16-8-9-22-25(13-16)32-11-10-31-22/h3-4,6-9,12-15H,2,5,10-11H2,1H3