ethyl 2-(2-iodanylphenyl)carbonylhept-6-ynoate

Systemtic Name: ethyl 2-(2-iodanylphenyl)carbonylhept-6-ynoate Openeye Name: ethyl 2-(2-iodobenzoyl)hept-6-ynoate CAS Name: 2-[(2-iodophenyl)-oxomethyl]-6-heptynoic acid ethyl ester IUPAC Name: ethyl 2-(2-iodobenzoyl)hept-6-ynoate Traditional Name: 2-(2-iodobenzoyl)hept-6-ynoic acid ethyl ester Formula: C16H17IO3 MolecularWeight: 384.20885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC#C)C(=O)C1=CC=CC=C1I

Isomeric SMILES

CCOC(=O)C(CCCC#C)C(=O)C1=CC=CC=C1I

InChI

InChI=1S/C16H17IO3/c1-3-5-6-10-13(16(19)20-4-2)15(18)12-9-7-8-11-14(12)17/h1,7-9,11,13H,4-6,10H2,2H3