(9S,10R,12R)-9,10,12-tris(oxidanyl)octadecanoate

Systemtic Name: (9S,10R,12R)-9,10,12-tris(oxidanyl)octadecanoate Openeye Name: (9S,10R,12R)-9,10,12-trihydroxyoctadecanoate CAS Name: (9S,10R,12R)-9,10,12-trihydroxyoctadecanoate IUPAC Name: (9S,10R,12R)-9,10,12-trihydroxyoctadecanoate Traditional Name: (9S,10R,12R)-9,10,12-trihydroxystearate Formula: C18H35O5- MolecularWeight: 331.4675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C(CCCCCCCC(=O)[O-])O)O)O

Isomeric SMILES

CCCCCC[C@H](C[C@H]([C@H](CCCCCCCC(=O)[O-])O)O)O

InChI

InChI=1S/C18H36O5/c1-2-3-4-8-11-15(19)14-17(21)16(20)12-9-6-5-7-10-13-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)/p-1/t15-,16+,17-/m1/s1