[(2Z)-3-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-3-keto-2-(2,4,5-trimethoxybenzylidene)coumaran-6-yl] ester Formula: C25H22O9S MolecularWeight: 498.50178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4OC)OC)OC)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4OC)OC)OC)/O3

InChI

InChI=1S/C25H22O9S/c1-29-16-5-8-18(9-6-16)35(27,28)34-17-7-10-19-21(13-17)33-24(25(19)26)12-15-11-22(31-3)23(32-4)14-20(15)30-2/h5-14H,1-4H3/b24-12-