(Z,9S,12R)-9,12-bis(oxidanyl)hexadec-7-en-10-ynoic acid

Systemtic Name: (Z,9S,12R)-9,12-bis(oxidanyl)hexadec-7-en-10-ynoic acid Openeye Name: (Z,9S,12R)-9,12-dihydroxyhexadec-7-en-10-ynoic acid CAS Name: (Z,9S,12R)-9,12-dihydroxyhexadec-7-en-10-ynoic acid IUPAC Name: (Z,9S,12R)-9,12-dihydroxyhexadec-7-en-10-ynoic acid Traditional Name: (Z,9S,12R)-9,12-dihydroxyhexadec-7-en-10-ynoic acid Formula: C16H26O4 MolecularWeight: 282.37524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC(C=CCCCCCC(=O)O)O)O

Isomeric SMILES

CCCC[C@H](C#C[C@H](/C=C\CCCCCC(=O)O)O)O

InChI

InChI=1S/C16H26O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h7,10,14-15,17-18H,2-6,8-9,11H2,1H3,(H,19,20)/b10-7-/t14-,15+/m1/s1