phenyl (E,2S,3R)-5-iodanyl-2,4-dimethyl-3-oxidanyl-pent-4-enoate

Systemtic Name: phenyl (E,2S,3R)-5-iodanyl-2,4-dimethyl-3-oxidanyl-pent-4-enoate Openeye Name: phenyl (E,2S,3R)-3-hydroxy-5-iodo-2,4-dimethyl-pent-4-enoate CAS Name: (E,2S,3R)-3-hydroxy-5-iodo-2,4-dimethyl-4-pentenoic acid phenyl ester IUPAC Name: phenyl (E,2S,3R)-3-hydroxy-5-iodo-2,4-dimethylpent-4-enoate Traditional Name: (E,2S,3R)-3-hydroxy-5-iodo-2,4-dimethyl-pent-4-enoic acid phenyl ester Formula: C13H15IO3 MolecularWeight: 346.16087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=CI)C)O)C(=O)OC1=CC=CC=C1

Isomeric SMILES

C[C@@H]([C@H](/C(=C/I)/C)O)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H15IO3/c1-9(8-14)12(15)10(2)13(16)17-11-6-4-3-5-7-11/h3-8,10,12,15H,1-2H3/b9-8+/t10-,12-/m0/s1