[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-[2-(1-adamantyl)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[1-(1-adamantyl)-1-oxopropan-2-yl]oxybenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-[1-(1-adamantyl)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[2-(1-adamantyl)-2-keto-1-methyl-ethoxy]benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C33H42O5 MolecularWeight: 518.68358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C(=O)OC(C)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)C(=O)OC(C)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H42O5/c1-19(29(34)32-13-21-7-22(14-32)9-23(8-21)15-32)37-28-5-3-27(4-6-28)31(36)38-20(2)30(35)33-16-24-10-25(17-33)12-26(11-24)18-33/h3-6,19-26H,7-18H2,1-2H3