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(9S,10E,12Z)-9-(dioxidanyl)octadeca-10,12-dienoic acid

(9S,10E,12Z)-9-(dioxidanyl)octadeca-10,12-dienoic acid

Systemtic Name:(9S,10E,12Z)-9-(dioxidanyl)octadeca-10,12-dienoic acid
Openeye Name:(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
CAS Name:(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
IUPAC Name:(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
Traditional Name:(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
Formula: C18H32O4
MolecularWeight: 312.44428
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=CC(CCCCCCCC(=O)O)OO


Isomeric SMILES

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


InChI

InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1


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