(3R)-3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[2-(1-adamantyl)-2-oxo-ethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: (3R)-3-[2-(1-adamantyl)-2-oxoethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[2-(1-adamantyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[2-(1-adamantyl)-2-keto-ethyl]-6,7-dimethoxy-phthalide Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)CC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H26O5/c1-25-16-4-3-15-17(27-21(24)19(15)20(16)26-2)8-18(23)22-9-12-5-13(10-22)7-14(6-12)11-22/h3-4,12-14,17H,5-11H2,1-2H3/t12?,13?,14?,17-,22?/m1/s1