(7E)-7-[3-bromanyl-5-[(E)-5,5-dimethyl-3-oxidanyl-oct-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoic acid

Systemtic Name: (7E)-7-[3-bromanyl-5-[(E)-5,5-dimethyl-3-oxidanyl-oct-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoic acid Openeye Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-2-oxo-cyclopent-3-en-1-ylidene]heptanoic acid CAS Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxy-5,5-dimethyloct-1-enyl]-2-oxo-1-cyclopent-3-enylidene]heptanoic acid IUPAC Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxy-5,5-dimethyloct-1-enyl]-2-oxocyclopent-3-en-1-ylidene]heptanoic acid Traditional Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-2-keto-cyclopent-3-en-1-ylidene]enanthic acid Formula: C22H33BrO4 MolecularWeight: 441.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC(C=CC1C=C(C(=O)C1=CCCCCCC(=O)O)Br)O

Isomeric SMILES

CCCC(C)(C)CC(/C=C/C\1C=C(C(=O)/C1=C/CCCCCC(=O)O)Br)O

InChI

InChI=1S/C22H33BrO4/c1-4-13-22(2,3)15-17(24)12-11-16-14-19(23)21(27)18(16)9-7-5-6-8-10-20(25)26/h9,11-12,14,16-17,24H,4-8,10,13,15H2,1-3H3,(H,25,26)/b12-11+,18-9+