(2E,5E)-7-[3-oxidanyl-2-(3-oxidanyloctyl)-5-phenylmethoxy-cyclopentyl]hepta-2,5-dienoic acid

Systemtic Name: (2E,5E)-7-[3-oxidanyl-2-(3-oxidanyloctyl)-5-phenylmethoxy-cyclopentyl]hepta-2,5-dienoic acid Openeye Name: (2E,5E)-7-[5-benzyloxy-3-hydroxy-2-(3-hydroxyoctyl)cyclopentyl]hepta-2,5-dienoic acid CAS Name: (2E,5E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-phenylmethoxycyclopentyl]hepta-2,5-dienoic acid IUPAC Name: (2E,5E)-7-[3-hydroxy-2-(3-hydroxyoctyl)-5-phenylmethoxycyclopentyl]hepta-2,5-dienoic acid Traditional Name: (2E,5E)-7-[5-benzoxy-3-hydroxy-2-(3-hydroxyoctyl)cyclopentyl]hepta-2,5-dienoic acid Formula: C27H40O5 MolecularWeight: 444.6035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1C(CC(C1CC=CCC=CC(=O)O)OCC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(CCC1C(CC(C1C/C=C/C/C=C/C(=O)O)OCC2=CC=CC=C2)O)O

InChI

InChI=1S/C27H40O5/c1-2-3-7-14-22(28)17-18-23-24(15-10-4-5-11-16-27(30)31)26(19-25(23)29)32-20-21-12-8-6-9-13-21/h4,6,8-13,16,22-26,28-29H,2-3,5,7,14-15,17-20H2,1H3,(H,30,31)/b10-4+,16-11+