7-[2-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-4,4-dimethyl-3-tetrahydropyran-2-yloxy-oct-1-en-6-ynyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-4,4-dimethyl-3-(2-oxanyloxy)oct-1-en-6-ynyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-4,4-dimethyl-3-(oxan-2-yloxy)oct-1-en-6-ynyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-4,4-dimethyl-3-tetrahydropyran-2-yloxy-oct-1-en-6-ynyl]-5-keto-cyclopentyl]enanthic acid Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)(C)C(C=CC1CCC(=O)C1CCCCCCC(=O)O)OC2CCCCO2

Isomeric SMILES

CC#CCC(C)(C)C(/C=C/C1CCC(=O)C1CCCCCCC(=O)O)OC2CCCCO2

InChI

InChI=1S/C27H42O5/c1-4-5-19-27(2,3)24(32-26-14-10-11-20-31-26)18-16-21-15-17-23(28)22(21)12-8-6-7-9-13-25(29)30/h16,18,21-22,24,26H,6-15,17,19-20H2,1-3H3,(H,29,30)/b18-16+