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

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C18H13BrO7S MolecularWeight: 453.26062

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Br)O2

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC4=C3OCOC4)Br)/O2

InChI

InChI=1S/C18H13BrO7S/c1-27(21,22)26-13-2-3-14-15(7-13)25-16(17(14)20)6-10-4-12(19)5-11-8-23-9-24-18(10)11/h2-7H,8-9H2,1H3/b16-6-