[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C24H21BrO6 MolecularWeight: 485.32394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Br)O3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC5=C4OCOC5)Br)/O3

InChI

InChI=1S/C24H21BrO6/c25-17-8-15(23-16(9-17)12-28-13-29-23)10-21-22(26)19-7-6-18(11-20(19)31-21)30-24(27)14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2/b21-10-