2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodanyl-thiolan-2-yl]ethanoic acid Openeye Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]acetic acid CAS Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-2-thiolanyl]acetic acid IUPAC Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodothiolan-2-yl]acetic acid Traditional Name: 2-[(2S,3S,5S)-5-cyano-5-diethoxyphosphoryl-3-iodo-tetrahydrothiophen-2-yl]acetic acid Formula: C11H17INO5PS MolecularWeight: 433.199611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CC(C(S1)CC(=O)O)I)C#N)OCC

Isomeric SMILES

CCOP(=O)([C@]1(C[C@@H]([C@@H](S1)CC(=O)O)I)C#N)OCC

InChI

InChI=1S/C11H17INO5PS/c1-3-17-19(16,18-4-2)11(7-13)6-8(12)9(20-11)5-10(14)15/h8-9H,3-6H2,1-2H3,(H,14,15)/t8-,9-,11-/m0/s1