3-[(2-iodanyl-6-methoxy-phenyl)methyl]pent-4-ynoic acid

Systemtic Name: 3-[(2-iodanyl-6-methoxy-phenyl)methyl]pent-4-ynoic acid Openeye Name: 3-[(2-iodo-6-methoxy-phenyl)methyl]pent-4-ynoic acid CAS Name: 3-[(2-iodo-6-methoxyphenyl)methyl]-4-pentynoic acid IUPAC Name: 3-[(2-iodo-6-methoxyphenyl)methyl]pent-4-ynoic acid Traditional Name: 3-(2-iodo-6-methoxy-benzyl)pent-4-ynoic acid Formula: C13H13IO3 MolecularWeight: 344.14499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)I)CC(CC(=O)O)C#C

Isomeric SMILES

COC1=C(C(=CC=C1)I)CC(CC(=O)O)C#C

InChI

InChI=1S/C13H13IO3/c1-3-9(8-13(15)16)7-10-11(14)5-4-6-12(10)17-2/h1,4-6,9H,7-8H2,2H3,(H,15,16)