4-[3-(1-iodanyl-2-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-methyl-benzoic acid

Systemtic Name: 4-[3-(1-iodanyl-2-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-methyl-benzoic acid Openeye Name: 4-[3-(1-iodo-2-adamantyl)-4-methoxy-benzoyl]oxy-3-methyl-benzoic acid CAS Name: 4-[[3-(1-iodo-2-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-methylbenzoic acid IUPAC Name: 4-[3-(1-iodo-2-adamantyl)-4-methoxybenzoyl]oxy-3-methylbenzoic acid Traditional Name: 4-[3-(1-iodo-2-adamantyl)-4-methoxy-benzoyl]oxy-3-methyl-benzoic acid Formula: C26H27IO5 MolecularWeight: 546.39405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)OC(=O)C2=CC(=C(C=C2)OC)C3C4CC5CC(C4)CC3(C5)I

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)OC(=O)C2=CC(=C(C=C2)OC)C3C4CC5CC(C4)CC3(C5)I

InChI

InChI=1S/C26H27IO5/c1-14-7-17(24(28)29)3-5-21(14)32-25(30)18-4-6-22(31-2)20(11-18)23-19-9-15-8-16(10-19)13-26(23,27)12-15/h3-7,11,15-16,19,23H,8-10,12-13H2,1-2H3,(H,28,29)