[1-adamantylcarbonyloxy-(4-chlorophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate

Systemtic Name: [1-adamantylcarbonyloxy-(4-chlorophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Openeye Name: [adamantane-1-carbonyloxy-(4-chlorophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [[1-adamantyl(oxo)methoxy]-(4-chlorophenyl)-$l^{3}-iodanyl] ester IUPAC Name: [adamantane-1-carbonyloxy-(4-chlorophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [adamantane-1-carbonyloxy-(4-chlorophenyl)iodinanyl] ester Formula: C28H34ClIO4 MolecularWeight: 596.92463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClIO4/c29-23-1-3-24(4-2-23)30(33-25(31)27-11-17-5-18(12-27)7-19(6-17)13-27)34-26(32)28-14-20-8-21(15-28)10-22(9-20)16-28/h1-4,17-22H,5-16H2