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

Systemtic Name: (9S,12R)-9,12-bis(oxidanyl)hexadec-10-ynoic acid Openeye Name: (9S,12R)-9,12-dihydroxyhexadec-10-ynoic acid CAS Name: (9S,12R)-9,12-dihydroxy-10-hexadecynoic acid IUPAC Name: (9S,12R)-9,12-dihydroxyhexadec-10-ynoic acid Traditional Name: (9S,12R)-9,12-dihydroxyhexadec-10-ynoic acid Formula: C16H28O4 MolecularWeight: 284.39112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](C#C[C@H](CCCCCCCC(=O)O)O)O

InChI

InChI=1S/C16H28O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h14-15,17-18H,2-11H2,1H3,(H,19,20)/t14-,15+/m1/s1