(E)-9-(2-oxidanylcyclopentyl)-11-oxidanylidene-hexadec-9-en-6-ynoic acid

Systemtic Name: (E)-9-(2-oxidanylcyclopentyl)-11-oxidanylidene-hexadec-9-en-6-ynoic acid Openeye Name: (E)-9-(2-hydroxycyclopentyl)-11-oxo-hexadec-9-en-6-ynoic acid CAS Name: (E)-9-(2-hydroxycyclopentyl)-11-oxohexadec-9-en-6-ynoic acid IUPAC Name: (E)-9-(2-hydroxycyclopentyl)-11-oxohexadec-9-en-6-ynoic acid Traditional Name: (E)-9-(2-hydroxycyclopentyl)-11-keto-hexadec-9-en-6-ynoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=C(CC#CCCCCC(=O)O)C1CCCC1O

Isomeric SMILES

CCCCCC(=O)/C=C(\CC#CCCCCC(=O)O)/C1CCCC1O

InChI

InChI=1S/C21H32O4/c1-2-3-7-12-18(22)16-17(19-13-10-14-20(19)23)11-8-5-4-6-9-15-21(24)25/h16,19-20,23H,2-4,6-7,9-15H2,1H3,(H,24,25)/b17-16+