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

Systemtic Name: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(4-tert-butylphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-2-(4-tert-butylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C26H24O5S MolecularWeight: 448.53076

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24O5S/c1-17-5-12-21(13-6-17)32(28,29)31-20-11-14-22-23(16-20)30-24(25(22)27)15-18-7-9-19(10-8-18)26(2,3)4/h5-16H,1-4H3/b24-15-