(E)-2,2,3,3-tetrakis(bromanyl)-12-oxidanyl-octadec-9-enoic acid

Systemtic Name: (E)-2,2,3,3-tetrakis(bromanyl)-12-oxidanyl-octadec-9-enoic acid Openeye Name: (E)-2,2,3,3-tetrabromo-12-hydroxy-octadec-9-enoic acid CAS Name: (E)-2,2,3,3-tetrabromo-12-hydroxy-9-octadecenoic acid IUPAC Name: (E)-2,2,3,3-tetrabromo-12-hydroxyoctadec-9-enoic acid Traditional Name: (E)-2,2,3,3-tetrabromo-12-hydroxy-octadec-9-enoic acid Formula: C18H30Br4O3 MolecularWeight: 614.045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCC(C(C(=O)O)(Br)Br)(Br)Br)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCC(C(C(=O)O)(Br)Br)(Br)Br)O

InChI

InChI=1S/C18H30Br4O3/c1-2-3-4-9-12-15(23)13-10-7-5-6-8-11-14-17(19,20)18(21,22)16(24)25/h7,10,15,23H,2-6,8-9,11-14H2,1H3,(H,24,25)/b10-7+