[2-methoxy-4-[(Z)-(6-methoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(6-methoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[(Z)-(3-keto-6-methoxy-coumaran-2-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C23H17BrO7S MolecularWeight: 517.34588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br)OC)O2

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br)OC)/O2

InChI

InChI=1S/C23H17BrO7S/c1-28-16-6-9-18-20(13-16)30-22(23(18)25)12-14-3-10-19(21(11-14)29-2)31-32(26,27)17-7-4-15(24)5-8-17/h3-13H,1-2H3/b22-12-