[1-adamantylcarbonyloxy(phenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate

Systemtic Name: [1-adamantylcarbonyloxy(phenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Openeye Name: [adamantane-1-carbonyloxy(phenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [[1-adamantyl(oxo)methoxy]-phenyl-$l^{3}-iodanyl] ester IUPAC Name: [adamantane-1-carbonyloxy(phenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [adamantane-1-carbonyloxy(phenyl)iodinanyl] ester Formula: C28H35IO4 MolecularWeight: 562.47957

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OI(C4=CC=CC=C4)OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OI(C4=CC=CC=C4)OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H35IO4/c30-25(27-12-18-6-19(13-27)8-20(7-18)14-27)32-29(24-4-2-1-3-5-24)33-26(31)28-15-21-9-22(16-28)11-23(10-21)17-28/h1-5,18-23H,6-17H2