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

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

Click to see the large picture

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(=C4)OC)OC)OC)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)O3

InChI

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