(E)-7-[(1S,5S)-2-ethynyl-4-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopent-2-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[(1S,5S)-2-ethynyl-4-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopent-2-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[(1S,5S)-2-ethynyl-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[(1S,5S)-2-ethynyl-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[(1S,5S)-2-ethynyl-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[(1S,5S)-2-ethynyl-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-keto-cyclopent-2-en-1-yl]hept-5-enoic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(C(=CC1=O)C#C)CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H](C(=CC1=O)C#C)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C22H30O4/c1-3-5-8-11-18(23)14-15-20-19(17(4-2)16-21(20)24)12-9-6-7-10-13-22(25)26/h2,6,9,14-16,18-20,23H,3,5,7-8,10-13H2,1H3,(H,25,26)/b9-6+,15-14+/t18-,19+,20-/m0/s1