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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propylchromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl] ester Formula: C28H23BrO6 MolecularWeight: 535.38262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H23BrO6/c1-3-4-18-13-21-24(15-23(18)35-28(31)17-5-8-20(29)9-6-17)34-16(2)26(27(21)30)19-7-10-22-25(14-19)33-12-11-32-22/h5-10,13-15H,3-4,11-12H2,1-2H3