(E)-7-[2-(4,4-dimethyl-3-oxidanyl-5-phenyl-pentyl)-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(4,4-dimethyl-3-oxidanyl-5-phenyl-pentyl)-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-(3-hydroxy-4,4-dimethyl-5-phenyl-pentyl)-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-(3-hydroxy-4,4-dimethyl-5-phenylpentyl)-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(3-hydroxy-4,4-dimethyl-5-phenylpentyl)-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-(3-hydroxy-4,4-dimethyl-5-phenyl-pentyl)-5-keto-cyclopentyl]hept-5-enoic acid Formula: C25H36O4 MolecularWeight: 400.55094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(CCC2CCC(=O)C2CC=CCCCC(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(CCC2CCC(=O)C2C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C25H36O4/c1-25(2,18-19-10-6-5-7-11-19)23(27)17-15-20-14-16-22(26)21(20)12-8-3-4-9-13-24(28)29/h3,5-8,10-11,20-21,23,27H,4,9,12-18H2,1-2H3,(H,28,29)/b8-3+