[(2Z)-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-3-keto-2-(4-phenylbenzylidene)coumaran-6-yl] ester Formula: C27H18O5S MolecularWeight: 454.49382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H18O5S/c28-27-24-16-15-22(32-33(29,30)23-9-5-2-6-10-23)18-25(24)31-26(27)17-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-18H/b26-17-