7-[2-hexyl-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]heptanoic acid

Systemtic Name: 7-[2-hexyl-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]heptanoic acid Openeye Name: 7-[2-hexyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid CAS Name: 7-[2-hexyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]heptanoic acid IUPAC Name: 7-[2-hexyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid Traditional Name: 7-[2-hexyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]enanthic acid Formula: C26H46O4 MolecularWeight: 422.64104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(C(C1)O)C=CC(CCCCC)O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C(C(C1)O)/C=C/C(CCCCC)O)CCCCCCC(=O)O

InChI

InChI=1S/C26H46O4/c1-3-5-7-11-14-21-20-25(28)24(19-18-22(27)15-10-6-4-2)23(21)16-12-8-9-13-17-26(29)30/h18-19,22,24-25,27-28H,3-17,20H2,1-2H3,(H,29,30)/b19-18+