[(E)-2,7-dimethyl-6-oxidanyl-oct-4-en-3-yl] prop-2-ynoate

Systemtic Name: [(E)-2,7-dimethyl-6-oxidanyl-oct-4-en-3-yl] prop-2-ynoate Openeye Name: [(E)-4-hydroxy-1-isopropyl-5-methyl-hex-2-enyl] prop-2-ynoate CAS Name: 2-propynoic acid [(E)-6-hydroxy-2,7-dimethyloct-4-en-3-yl] ester IUPAC Name: [(E)-6-hydroxy-2,7-dimethyloct-4-en-3-yl] prop-2-ynoate Traditional Name: propiolic acid [(E)-4-hydroxy-1-isopropyl-5-methyl-hex-2-enyl] ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CC(C(C)C)OC(=O)C#C)O

Isomeric SMILES

CC(C)C(/C=C/C(C(C)C)OC(=O)C#C)O

InChI

InChI=1S/C13H20O3/c1-6-13(15)16-12(10(4)5)8-7-11(14)9(2)3/h1,7-12,14H,2-5H3/b8-7+