[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)O

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CC=C4)O

InChI

InChI=1S/C20H24O4/c1-12(24-19(23)16-3-2-4-17(21)8-16)18(22)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,12-15,21H,5-7,9-11H2,1H3