methyl 3-(3-ethoxy-3-oxidanylidene-prop-1-ynyl)-2-(2-iodanyl-6-methoxycarbonyl-phenyl)benzoate

Systemtic Name: methyl 3-(3-ethoxy-3-oxidanylidene-prop-1-ynyl)-2-(2-iodanyl-6-methoxycarbonyl-phenyl)benzoate Openeye Name: methyl 3-(3-ethoxy-3-oxo-prop-1-ynyl)-2-(2-iodo-6-methoxycarbonyl-phenyl)benzoate CAS Name: 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate Traditional Name: 2-(2-carbomethoxy-6-iodo-phenyl)-3-(3-ethoxy-3-keto-prop-1-ynyl)benzoic acid methyl ester Formula: C21H17IO6 MolecularWeight: 492.26055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC1=C(C(=CC=C1)C(=O)OC)C2=C(C=CC=C2I)C(=O)OC

Isomeric SMILES

CCOC(=O)C#CC1=C(C(=CC=C1)C(=O)OC)C2=C(C=CC=C2I)C(=O)OC

InChI

InChI=1S/C21H17IO6/c1-4-28-17(23)12-11-13-7-5-8-14(20(24)26-2)18(13)19-15(21(25)27-3)9-6-10-16(19)22/h5-10H,4H2,1-3H3