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

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-(4-phenylbenzylidene)coumaran-6-yl] ester Formula: C28H20O5S MolecularWeight: 468.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)C5=CC=CC=C5)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)C5=CC=CC=C5)/O3

InChI

InChI=1S/C28H20O5S/c1-19-7-14-24(15-8-19)34(30,31)33-23-13-16-25-26(18-23)32-27(28(25)29)17-20-9-11-22(12-10-20)21-5-3-2-4-6-21/h2-18H,1H3/b27-17-