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

Systemtic Name: [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-m-anisylidene-coumaran-6-yl] ester Formula: C23H18O6S MolecularWeight: 422.45042

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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)OC)O3

Isomeric SMILES

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

InChI

InChI=1S/C23H18O6S/c1-15-6-9-19(10-7-15)30(25,26)29-18-8-11-20-21(14-18)28-22(23(20)24)13-16-4-3-5-17(12-16)27-2/h3-14H,1-2H3/b22-13-