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

Systemtic Name: (E)-7-[(1R,5R)-2-ethynyl-5-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]-4-oxidanylidene-cyclopent-2-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[(1R,5R)-2-ethynyl-4-oxo-5-[(E,3S)-3-tetrahydropyran-2-yloxyoct-1-enyl]cyclopent-2-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[(1R,5R)-2-ethynyl-5-[(E,3S)-3-(2-oxanyloxy)oct-1-enyl]-4-oxo-1-cyclopent-2-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[(1R,5R)-2-ethynyl-5-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[(1R,5R)-2-ethynyl-4-keto-5-[(E,3S)-3-tetrahydropyran-2-yloxyoct-1-enyl]cyclopent-2-en-1-yl]hept-5-enoic acid Formula: C27H38O5 MolecularWeight: 442.58762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(C(=CC1=O)C#C)CC=CCCCC(=O)O)OC2CCCCO2

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H](C(=CC1=O)C#C)C/C=C/CCCC(=O)O)OC2CCCCO2

InChI

InChI=1S/C27H38O5/c1-3-5-8-13-22(32-27-16-11-12-19-31-27)17-18-24-23(21(4-2)20-25(24)28)14-9-6-7-10-15-26(29)30/h2,6,9,17-18,20,22-24,27H,3,5,7-8,10-16,19H2,1H3,(H,29,30)/b9-6+,18-17+/t22-,23-,24+,27?/m0/s1