[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [(2Z)-2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2Z)-3-keto-2-veratrylidene-coumaran-6-yl] ester Formula: C28H26O6 MolecularWeight: 458.50244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)OC)OC)O3

Isomeric SMILES

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

InChI

InChI=1S/C28H26O6/c1-28(2,3)19-9-7-18(8-10-19)27(30)33-20-11-12-21-23(16-20)34-25(26(21)29)15-17-6-13-22(31-4)24(14-17)32-5/h6-16H,1-5H3/b25-15-