Molecule ID: 56927761

IUPAC Name: (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate

Description: The molecule is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate that has R configuration at the chiral centre. It is a conjugate base of a (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid. It is an enantiomer of a (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate.

SMILES: CC/C=C\C/C=C\C=C\[C@@H](CCCCCCCC(=O)[O-])OO

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][=C][\C@@H1][Branch1][=N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][O][O]

InChI: InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b4-3-,8-6-,14-11+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.4