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

Systemtic Name: [1-adamantylcarbonyloxy-(4-nitrophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Openeye Name: [adamantane-1-carbonyloxy-(4-nitrophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [[1-adamantyl(oxo)methoxy]-(4-nitrophenyl)-$l^{3}-iodanyl] ester IUPAC Name: [adamantane-1-carbonyloxy-(4-nitrophenyl)-$l^{3}-iodanyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [adamantane-1-carbonyloxy-(4-nitrophenyl)iodinanyl] ester Formula: C28H34INO6 MolecularWeight: 607.47713

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OI(C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OI(C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H34INO6/c31-25(27-11-17-5-18(12-27)7-19(6-17)13-27)35-29(23-1-3-24(4-2-23)30(33)34)36-26(32)28-14-20-8-21(15-28)10-22(9-20)16-28/h1-4,17-22H,5-16H2