2-[(E)-3-ethynyl-3-(oxan-2-yloxy)oct-1-enyl]-5-oxidanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[(E)-3-ethynyl-3-(oxan-2-yloxy)oct-1-enyl]-5-oxidanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[(E)-3-ethynyl-3-tetrahydropyran-2-yloxy-oct-1-enyl]-5-hydroxy-cyclopentanecarboxylic acid CAS Name: 2-[(E)-3-ethynyl-3-(2-oxanyloxy)oct-1-enyl]-5-hydroxy-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(E)-3-ethynyl-3-(oxan-2-yloxy)oct-1-enyl]-5-hydroxycyclopentane-1-carboxylic acid Traditional Name: 2-[(E)-3-amyl-3-tetrahydropyran-2-yloxy-pent-1-en-4-ynyl]-5-hydroxy-cyclopentanecarboxylic acid Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(C1C(=O)O)O)(C#C)OC2CCCCO2

Isomeric SMILES

CCCCCC(/C=C/C1CCC(C1C(=O)O)O)(C#C)OC2CCCCO2

InChI

InChI=1S/C21H32O5/c1-3-5-7-13-21(4-2,26-18-9-6-8-15-25-18)14-12-16-10-11-17(22)19(16)20(23)24/h2,12,14,16-19,22H,3,5-11,13,15H2,1H3,(H,23,24)/b14-12+