[(1R)-4-oxidanyl-3-oxidanylidene-1-(phenylmethoxymethyl)-2-benzofuran-1-yl]methyl 2-tert-butyl-3,3-dimethyl-butanoate

Systemtic Name: [(1R)-4-oxidanyl-3-oxidanylidene-1-(phenylmethoxymethyl)-2-benzofuran-1-yl]methyl 2-tert-butyl-3,3-dimethyl-butanoate Openeye Name: [(1R)-1-(benzyloxymethyl)-4-hydroxy-3-oxo-isobenzofuran-1-yl]methyl 2-tert-butyl-3,3-dimethyl-butanoate CAS Name: 2-tert-butyl-3,3-dimethylbutanoic acid [(1R)-4-hydroxy-3-oxo-1-(phenylmethoxymethyl)-1-isobenzofuranyl]methyl ester IUPAC Name: [(1R)-4-hydroxy-3-oxo-1-(phenylmethoxymethyl)-2-benzofuran-1-yl]methyl 2-tert-butyl-3,3-dimethylbutanoate Traditional Name: 2-tert-butyl-3,3-dimethyl-butyric acid [(1R)-1-(benzoxymethyl)-4-hydroxy-3-keto-phthalan-1-yl]methyl ester Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OCC1(C2=C(C(=CC=C2)O)C(=O)O1)COCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)OC[C@@]1(C2=C(C(=CC=C2)O)C(=O)O1)COCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C27H34O6/c1-25(2,3)22(26(4,5)6)24(30)32-17-27(16-31-15-18-11-8-7-9-12-18)19-13-10-14-20(28)21(19)23(29)33-27/h7-14,22,28H,15-17H2,1-6H3/t27-/m1/s1