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

Systemtic Name: [2-[(Z)-(6-ethoxy-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [2-[(Z)-(6-ethoxy-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-[(Z)-(6-ethoxy-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [2-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-[(Z)-(6-ethoxy-3-keto-coumaran-2-ylidene)methyl]phenyl] ester Formula: C23H17BrO6S MolecularWeight: 501.34648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC=C3OS(=O)(=O)C4=CC=C(C=C4)Br)O2

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3OS(=O)(=O)C4=CC=C(C=C4)Br)/O2

InChI

InChI=1S/C23H17BrO6S/c1-2-28-17-9-12-19-21(14-17)29-22(23(19)25)13-15-5-3-4-6-20(15)30-31(26,27)18-10-7-16(24)8-11-18/h3-14H,2H2,1H3/b22-13-