(E,7R)-7-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-7-oxidanyl-hept-2-enoic acid

Systemtic Name: (E,7R)-7-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,7R)-7-(3,5-dibromo-2-hydroxy-phenyl)-7-hydroxy-hept-2-enoic acid CAS Name: (E,7R)-7-(3,5-dibromo-2-hydroxyphenyl)-7-hydroxy-2-heptenoic acid IUPAC Name: (E,7R)-7-(3,5-dibromo-2-hydroxyphenyl)-7-hydroxyhept-2-enoic acid Traditional Name: (E,7R)-7-(3,5-dibromo-2-hydroxy-phenyl)-7-hydroxy-hept-2-enoic acid Formula: C13H14Br2O4 MolecularWeight: 394.05586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C(CCCC=CC(=O)O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)[C@@H](CCC/C=C/C(=O)O)O)Br

InChI

InChI=1S/C13H14Br2O4/c14-8-6-9(13(19)10(15)7-8)11(16)4-2-1-3-5-12(17)18/h3,5-7,11,16,19H,1-2,4H2,(H,17,18)/b5-3+/t11-/m1/s1