[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate

Systemtic Name: [2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C17H13BrO6S MolecularWeight: 425.25052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C17H13BrO6S/c1-22-14-6-3-11(18)7-10(14)8-16-17(19)13-5-4-12(9-15(13)23-16)24-25(2,20)21/h3-9H,1-2H3