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

Systemtic Name: 5-[(E)-3-ethynyl-3-oxidanyl-oct-1-enyl]-2-methoxy-cyclopentene-1-carboxylate Openeye Name: 5-[(E)-3-ethynyl-3-hydroxy-oct-1-enyl]-2-methoxy-cyclopentene-1-carboxylate CAS Name: 5-[(E)-3-ethynyl-3-hydroxyoct-1-enyl]-2-methoxy-1-cyclopentenecarboxylate IUPAC Name: 5-[(E)-3-ethynyl-3-hydroxyoct-1-enyl]-2-methoxycyclopentene-1-carboxylate Traditional Name: 5-[(E)-3-amyl-3-hydroxy-pent-1-en-4-ynyl]-2-methoxy-cyclopentene-1-carboxylate Formula: C17H23O4- MolecularWeight: 291.36212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-4-6-7-11-17(20,5-2)12-10-13-8-9-14(21-3)15(13)16(18)19/h2,10,12-13,20H,4,6-9,11H2,1,3H3,(H,18,19)/p-1/b12-10+