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

Systemtic Name: [3-[(Z)-(6-methoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [3-[(Z)-(6-methoxy-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [3-[(Z)-(6-methoxy-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [3-[(Z)-(3-keto-6-methoxy-coumaran-2-ylidene)methyl]phenyl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrO6S/c1-27-16-7-10-19-20(13-16)28-21(22(19)24)12-14-3-2-4-17(11-14)29-30(25,26)18-8-5-15(23)6-9-18/h2-13H,1H3/b21-12-