2-(1-iodanylprop-2-ynoxycarbonyl)benzoic acid

Systemtic Name: 2-(1-iodanylprop-2-ynoxycarbonyl)benzoic acid Openeye Name: 2-(1-iodoprop-2-ynoxycarbonyl)benzoic acid CAS Name: 2-[1-iodoprop-2-ynoxy(oxo)methyl]benzoic acid IUPAC Name: 2-(1-iodoprop-2-ynoxycarbonyl)benzoic acid Traditional Name: 2-(1-iodoprop-2-ynoxycarbonyl)benzoic acid Formula: C11H7IO4 MolecularWeight: 330.07535

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(OC(=O)C1=CC=CC=C1C(=O)O)I

Isomeric SMILES

C#CC(OC(=O)C1=CC=CC=C1C(=O)O)I

InChI

InChI=1S/C11H7IO4/c1-2-9(12)16-11(15)8-6-4-3-5-7(8)10(13)14/h1,3-6,9H,(H,13,14)