(Q27125940)

(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate (English)

6 October 2016

chemical formula

C₁₈H₃₁O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CC(CCCCCCC(=O)[O-])OO

1 reference

(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate (English)

6 October 2016

isomeric SMILES

CCCCC/C=C\C/C=C\[C@@H](CCCCCCC(=O)[O-])OO

1 reference

(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate (English)

InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b7-6-,14-11-/t17-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate (English)

RGJSGXNKRWWCOQ-QMEIEYGNSA-M

6 October 2016

InChIKey

2 references

(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8R,9Z,12Z)-8-Hydroperoxy-9,12-octadecadienoate (English)

6 October 2016

1 reference

(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate (English)

6 October 2016

ChEBI ID

58659

mapping relation type

1 reference