tert-butyl 4-(3-oxidanylidene-7-phenylmethoxy-1H-2-benzofuran-1-yl)-3,5-bis(phenylmethoxy)benzoate

Systemtic Name: tert-butyl 4-(3-oxidanylidene-7-phenylmethoxy-1H-2-benzofuran-1-yl)-3,5-bis(phenylmethoxy)benzoate Openeye Name: tert-butyl 3,5-dibenzyloxy-4-(7-benzyloxy-3-oxo-1H-isobenzofuran-1-yl)benzoate CAS Name: 4-(3-oxo-7-phenylmethoxy-1H-isobenzofuran-1-yl)-3,5-bis(phenylmethoxy)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-oxo-7-phenylmethoxy-1H-2-benzofuran-1-yl)-3,5-bis(phenylmethoxy)benzoate Traditional Name: 3,5-dibenzoxy-4-(7-benzoxy-3-keto-phthalan-1-yl)benzoic acid tert-butyl ester Formula: C40H36O7 MolecularWeight: 628.70964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C3C4=C(C=CC=C4OCC5=CC=CC=C5)C(=O)O3)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C3C4=C(C=CC=C4OCC5=CC=CC=C5)C(=O)O3)OCC6=CC=CC=C6

InChI

InChI=1S/C40H36O7/c1-40(2,3)47-38(41)30-22-33(44-25-28-16-9-5-10-17-28)36(34(23-30)45-26-29-18-11-6-12-19-29)37-35-31(39(42)46-37)20-13-21-32(35)43-24-27-14-7-4-8-15-27/h4-23,37H,24-26H2,1-3H3