(E)-12-oxidanylheptadec-10-en-8-ynoic acid

Systemtic Name: (E)-12-oxidanylheptadec-10-en-8-ynoic acid Openeye Name: (E)-12-hydroxyheptadec-10-en-8-ynoic acid CAS Name: (E)-12-hydroxyheptadec-10-en-8-ynoic acid IUPAC Name: (E)-12-hydroxyheptadec-10-en-8-ynoic acid Traditional Name: (E)-12-hydroxyheptadec-10-en-8-ynoic acid Formula: C17H28O3 MolecularWeight: 280.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(/C=C/C#CCCCCCCC(=O)O)O

InChI

InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b14-11+