3-[(2-iodanylphenyl)methyl]pent-4-ynoic acid

Systemtic Name: 3-[(2-iodanylphenyl)methyl]pent-4-ynoic acid Openeye Name: 3-[(2-iodophenyl)methyl]pent-4-ynoic acid CAS Name: 3-[(2-iodophenyl)methyl]-4-pentynoic acid IUPAC Name: 3-[(2-iodophenyl)methyl]pent-4-ynoic acid Traditional Name: 3-(2-iodobenzyl)pent-4-ynoic acid Formula: C12H11IO2 MolecularWeight: 314.11901

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC=CC=C1I)CC(=O)O

Isomeric SMILES

C#CC(CC1=CC=CC=C1I)CC(=O)O

InChI

InChI=1S/C12H11IO2/c1-2-9(8-12(14)15)7-10-5-3-4-6-11(10)13/h1,3-6,9H,7-8H2,(H,14,15)