2-[(E)-3-ethynyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-cyclopentane-1-carboxylate

Systemtic Name: 2-[(E)-3-ethynyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-cyclopentane-1-carboxylate Openeye Name: 2-[(E)-3-ethynyl-3-hydroxy-oct-1-enyl]-5-hydroxy-cyclopentanecarboxylate CAS Name: 2-[(E)-3-ethynyl-3-hydroxyoct-1-enyl]-5-hydroxy-1-cyclopentanecarboxylate IUPAC Name: 2-[(E)-3-ethynyl-3-hydroxyoct-1-enyl]-5-hydroxycyclopentane-1-carboxylate Traditional Name: 2-[(E)-3-amyl-3-hydroxy-pent-1-en-4-ynyl]-5-hydroxy-cyclopentanecarboxylate Formula: C16H23O4- MolecularWeight: 279.35142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(C1C(=O)[O-])O)(C#C)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(C1C(=O)[O-])O)(C#C)O

InChI

InChI=1S/C16H24O4/c1-3-5-6-10-16(20,4-2)11-9-12-7-8-13(17)14(12)15(18)19/h2,9,11-14,17,20H,3,5-8,10H2,1H3,(H,18,19)/p-1/b11-9+