(E,6S,7S)-7-(5-iodanyl-2-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enoic acid

Systemtic Name: (E,6S,7S)-7-(5-iodanyl-2-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enoic acid Openeye Name: (E,6S,7S)-7-hydroxy-7-(2-hydroxy-5-iodo-phenyl)-6-phenoxy-hept-2-enoic acid CAS Name: (E,6S,7S)-7-hydroxy-7-(2-hydroxy-5-iodophenyl)-6-phenoxy-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-hydroxy-7-(2-hydroxy-5-iodophenyl)-6-phenoxyhept-2-enoic acid Traditional Name: (E,6S,7S)-7-hydroxy-7-(2-hydroxy-5-iodo-phenyl)-6-phenoxy-hept-2-enoic acid Formula: C19H19IO5 MolecularWeight: 454.25563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCC=CC(=O)O)C(C2=C(C=CC(=C2)I)O)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@@H](CC/C=C/C(=O)O)[C@H](C2=C(C=CC(=C2)I)O)O

InChI

InChI=1S/C19H19IO5/c20-13-10-11-16(21)15(12-13)19(24)17(8-4-5-9-18(22)23)25-14-6-2-1-3-7-14/h1-3,5-7,9-12,17,19,21,24H,4,8H2,(H,22,23)/b9-5+/t17-,19-/m0/s1