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

Systemtic Name: 7-[2-heptyl-4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]heptanoic acid Openeye Name: 7-[2-heptyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid CAS Name: 7-[2-heptyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentenyl]heptanoic acid IUPAC Name: 7-[2-heptyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid Traditional Name: 7-[2-heptyl-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]enanthic acid Formula: C27H48O4 MolecularWeight: 436.66762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(C(C1)O)C=CC(CCCCC)O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=C(C(C(C1)O)/C=C/C(CCCCC)O)CCCCCCC(=O)O

InChI

InChI=1S/C27H48O4/c1-3-5-7-8-12-15-22-21-26(29)25(20-19-23(28)16-11-6-4-2)24(22)17-13-9-10-14-18-27(30)31/h19-20,23,25-26,28-29H,3-18,21H2,1-2H3,(H,30,31)/b20-19+