methyl 2-[4-(2-iodanylphenyl)but-1-ynyl]benzoate

Systemtic Name: methyl 2-[4-(2-iodanylphenyl)but-1-ynyl]benzoate Openeye Name: methyl 2-[4-(2-iodophenyl)but-1-ynyl]benzoate CAS Name: 2-[4-(2-iodophenyl)but-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-iodophenyl)but-1-ynyl]benzoate Traditional Name: 2-[4-(2-iodophenyl)but-1-ynyl]benzoic acid methyl ester Formula: C18H15IO2 MolecularWeight: 390.21497

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CCCC2=CC=CC=C2I

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CCCC2=CC=CC=C2I

InChI

InChI=1S/C18H15IO2/c1-21-18(20)16-12-6-4-9-14(16)8-2-3-10-15-11-5-7-13-17(15)19/h4-7,9,11-13H,3,10H2,1H3