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

Systemtic Name: [1-adamantylcarbonyloxy-(4-methoxyphenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Openeye Name: [adamantane-1-carbonyloxy-(4-methoxyphenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [[1-adamantyl(oxo)methoxy]-(4-methoxyphenyl)-$l^{3}-iodanyl] ester IUPAC Name: [adamantane-1-carbonyloxy-(4-methoxyphenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [adamantane-1-carbonyloxy-(4-methoxyphenyl)iodinanyl] ester Formula: C29H37IO5 MolecularWeight: 592.50555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)I(OC(=O)C23CC4CC(C2)CC(C4)C3)OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=CC=C(C=C1)I(OC(=O)C23CC4CC(C2)CC(C4)C3)OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H37IO5/c1-33-25-4-2-24(3-5-25)30(34-26(31)28-12-18-6-19(13-28)8-20(7-18)14-28)35-27(32)29-15-21-9-22(16-29)11-23(10-21)17-29/h2-5,18-23H,6-17H2,1H3