octyl (E)-6-oxidanylhex-2-en-4-ynoate

Systemtic Name: octyl (E)-6-oxidanylhex-2-en-4-ynoate Openeye Name: octyl (E)-6-hydroxyhex-2-en-4-ynoate CAS Name: (E)-6-hydroxyhex-2-en-4-ynoic acid octyl ester IUPAC Name: octyl (E)-6-hydroxyhex-2-en-4-ynoate Traditional Name: (E)-6-hydroxyhex-2-en-4-ynoic acid octyl ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C=CC#CCO

Isomeric SMILES

CCCCCCCCOC(=O)/C=C/C#CCO

InChI

InChI=1S/C14H22O3/c1-2-3-4-5-6-10-13-17-14(16)11-8-7-9-12-15/h8,11,15H,2-6,10,12-13H2,1H3/b11-8+