(E)-9-(dioxidanyl)-13-oxidanyl-12-oxidanylidene-octadec-10-enoic acid

Systemtic Name: (E)-9-(dioxidanyl)-13-oxidanyl-12-oxidanylidene-octadec-10-enoic acid Openeye Name: (E)-9-hydroperoxy-13-hydroxy-12-oxo-octadec-10-enoic acid CAS Name: (E)-9-hydroperoxy-13-hydroxy-12-oxo-10-octadecenoic acid IUPAC Name: (E)-9-hydroperoxy-13-hydroxy-12-oxooctadec-10-enoic acid Traditional Name: (E)-9-hydroperoxy-13-hydroxy-12-keto-octadec-10-enoic acid Formula: C18H32O6 MolecularWeight: 344.44308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(C(=O)/C=C/C(CCCCCCCC(=O)O)OO)O

InChI

InChI=1S/C18H32O6/c1-2-3-7-11-16(19)17(20)14-13-15(24-23)10-8-5-4-6-9-12-18(21)22/h13-16,19,23H,2-12H2,1H3,(H,21,22)/b14-13+