[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]coumaran-6-yl] ester Formula: C25H20O6S MolecularWeight: 448.4877

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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(=CC=CC4=CC=CC=C4OC)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C=C/C4=CC=CC=C4OC)/O3

InChI

InChI=1S/C25H20O6S/c1-17-10-13-20(14-11-17)32(27,28)31-19-12-15-21-24(16-19)30-23(25(21)26)9-5-7-18-6-3-4-8-22(18)29-2/h3-16H,1-2H3/b7-5+,23-9-