3-iodanylprop-2-ynyl 3-methylbenzoate

Systemtic Name: 3-iodanylprop-2-ynyl 3-methylbenzoate Openeye Name: 3-iodoprop-2-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 3-iodoprop-2-ynyl ester Formula: C11H9IO2 MolecularWeight: 300.09243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC#CI

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC#CI

InChI

InChI=1S/C11H9IO2/c1-9-4-2-5-10(8-9)11(13)14-7-3-6-12/h2,4-5,8H,7H2,1H3