[2-(3,3-dimethyl-4-oxidanylidene-but-1-ynyl)-1-(3-iodanylprop-2-ynyl)cyclopent-2-en-1-yl] ethanoate

Systemtic Name: [2-(3,3-dimethyl-4-oxidanylidene-but-1-ynyl)-1-(3-iodanylprop-2-ynyl)cyclopent-2-en-1-yl] ethanoate Openeye Name: [2-(3,3-dimethyl-4-oxo-but-1-ynyl)-1-(3-iodoprop-2-ynyl)cyclopent-2-en-1-yl] acetate CAS Name: acetic acid [2-(3,3-dimethyl-4-oxobut-1-ynyl)-1-(3-iodoprop-2-ynyl)-1-cyclopent-2-enyl] ester IUPAC Name: [2-(3,3-dimethyl-4-oxobut-1-ynyl)-1-(3-iodoprop-2-ynyl)cyclopent-2-en-1-yl] acetate Traditional Name: acetic acid [1-(3-iodoprop-2-ynyl)-2-(4-keto-3,3-dimethyl-but-1-ynyl)cyclopent-2-en-1-yl] ester Formula: C16H17IO3 MolecularWeight: 384.20885

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC=C1C#CC(C)(C)C=O)CC#CI

Isomeric SMILES

CC(=O)OC1(CCC=C1C#CC(C)(C)C=O)CC#CI

InChI

InChI=1S/C16H17IO3/c1-13(19)20-16(9-5-11-17)8-4-6-14(16)7-10-15(2,3)12-18/h6,12H,4,8-9H2,1-3H3