[2-iodanyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] ethanoate

Systemtic Name: [2-iodanyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] ethanoate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)-2-iodo-phenyl] acetate CAS Name: acetic acid [4-(3-hydroxy-3-methylbut-1-ynyl)-2-iodophenyl] ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)-2-iodophenyl] acetate Traditional Name: acetic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)-2-iodo-phenyl] ester Formula: C13H13IO3 MolecularWeight: 344.14499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C#CC(C)(C)O)I

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C#CC(C)(C)O)I

InChI

InChI=1S/C13H13IO3/c1-9(15)17-12-5-4-10(8-11(12)14)6-7-13(2,3)16/h4-5,8,16H,1-3H3