[3-[(2E)-2-(2-iodanylethoxymethylidene)-1-adamantyl]phenyl] ethanoate

Systemtic Name: [3-[(2E)-2-(2-iodanylethoxymethylidene)-1-adamantyl]phenyl] ethanoate Openeye Name: [3-[(2E)-2-(2-iodoethoxymethylene)-1-adamantyl]phenyl] acetate CAS Name: acetic acid [3-[(2E)-2-(2-iodoethoxymethylidene)-1-adamantyl]phenyl] ester IUPAC Name: [3-[(2E)-2-(2-iodoethoxymethylidene)-1-adamantyl]phenyl] acetate Traditional Name: acetic acid [3-[(2E)-2-(2-iodoethoxymethylene)-1-adamantyl]phenyl] ester Formula: C21H25IO3 MolecularWeight: 452.32587

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C23CC4CC(C2)CC(C4)C3=COCCI

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C2\3CC4CC(C2)CC(C4)/C3=C\OCCI

InChI

InChI=1S/C21H25IO3/c1-14(23)25-19-4-2-3-18(10-19)21-11-15-7-16(12-21)9-17(8-15)20(21)13-24-6-5-22/h2-4,10,13,15-17H,5-9,11-12H2,1H3/b20-13+