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

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-(2,3,4-trimethoxybenzylidene)coumaran-6-yl] ester Formula: C25H22O8S MolecularWeight: 482.50238

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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=C(C(=C(C=C4)OC)OC)OC)O3

Isomeric SMILES

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

InChI

InChI=1S/C25H22O8S/c1-15-5-9-18(10-6-15)34(27,28)33-17-8-11-19-21(14-17)32-22(23(19)26)13-16-7-12-20(29-2)25(31-4)24(16)30-3/h5-14H,1-4H3/b22-13-