(3R)-3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[2-(1-adamantyl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[2-(1-adamantyl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[2-(1-adamantyl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[2-(1-adamantyl)-2-keto-ethyl]phthalide Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[C@@H]4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C20H22O3/c21-18(8-17-15-3-1-2-4-16(15)19(22)23-17)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,12-14,17H,5-11H2/t12?,13?,14?,17-,20?/m1/s1