(5S,8R,9Z,12Z)-5,8-bis(oxidanyl)octadeca-9,12-dienoate

Systemtic Name: (5S,8R,9Z,12Z)-5,8-bis(oxidanyl)octadeca-9,12-dienoate Openeye Name: (5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate CAS Name: (5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate IUPAC Name: (5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate Traditional Name: (5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoate Formula: C18H31O4- MolecularWeight: 311.43634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CC(CCC(CCCC(=O)[O-])O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\[C@@H](CC[C@H](CCCC(=O)[O-])O)O

InChI

InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/p-1/b7-6-,11-9-/t16-,17-/m0/s1