methyl (1R,2S)-2-but-3-ynyl-1-(3-iodanylpropyl)-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-but-3-ynyl-1-(3-iodanylpropyl)-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2S)-2-but-3-ynyl-1-(3-iodopropyl)-5-oxo-cyclopentanecarboxylate CAS Name: (1R,2S)-2-but-3-ynyl-1-(3-iodopropyl)-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-but-3-ynyl-1-(3-iodopropyl)-5-oxocyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-but-3-ynyl-1-(3-iodopropyl)-5-keto-cyclopentanecarboxylic acid methyl ester Formula: C14H19IO3 MolecularWeight: 362.20333

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CCC1=O)CCC#C)CCCI

Isomeric SMILES

COC(=O)[C@@]1([C@H](CCC1=O)CCC#C)CCCI

InChI

InChI=1S/C14H19IO3/c1-3-4-6-11-7-8-12(16)14(11,9-5-10-15)13(17)18-2/h1,11H,4-10H2,2H3/t11-,14+/m0/s1