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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-benzylidene-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-3-oxo-2-(phenylmethylene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-2-benzal-3-keto-coumaran-6-yl] ester Formula: C22H16O5S MolecularWeight: 392.42444

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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=CC=C4)O3

Isomeric SMILES

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

InChI

InChI=1S/C22H16O5S/c1-15-7-10-18(11-8-15)28(24,25)27-17-9-12-19-20(14-17)26-21(22(19)23)13-16-5-3-2-4-6-16/h2-14H,1H3/b21-13-