ditert-butyl 2-(7-iodanylhept-2-ynyl)-2-(2-oxidanylideneethyl)propanedioate

Systemtic Name: ditert-butyl 2-(7-iodanylhept-2-ynyl)-2-(2-oxidanylideneethyl)propanedioate Openeye Name: ditert-butyl 2-(7-iodohept-2-ynyl)-2-(2-oxoethyl)propanedioate CAS Name: 2-(7-iodohept-2-ynyl)-2-(2-oxoethyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(7-iodohept-2-ynyl)-2-(2-oxoethyl)propanedioate Traditional Name: 2-(7-iodohept-2-ynyl)-2-(2-ketoethyl)malonic acid ditert-butyl ester Formula: C20H31IO5 MolecularWeight: 478.36161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=O)(CC#CCCCCI)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC=O)(CC#CCCCCI)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31IO5/c1-18(2,3)25-16(23)20(13-15-22,17(24)26-19(4,5)6)12-10-8-7-9-11-14-21/h15H,7,9,11-14H2,1-6H3