methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethoxy]-4-iodanyl-benzoate

Systemtic Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethoxy]-4-iodanyl-benzoate Openeye Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxo-ethoxy]-4-iodo-benzoate CAS Name: 3-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethoxy]-4-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethoxy]-4-iodobenzoate Traditional Name: 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-keto-ethoxy]-4-iodo-benzoic acid methyl ester Formula: C27H29IO5 MolecularWeight: 560.42063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC2=C(C=CC(=C2)C(=O)OC)I)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC2=C(C=CC(=C2)C(=O)OC)I)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H29IO5/c1-31-24-6-4-19(10-21(24)27-12-16-7-17(13-27)9-18(8-16)14-27)23(29)15-33-25-11-20(26(30)32-2)3-5-22(25)28/h3-6,10-11,16-18H,7-9,12-15H2,1-2H3