ethyl (E)-2-[(1S,2S)-1-(dioxidanyl)-2-oxidanyl-propyl]octadec-2-enoate

Systemtic Name: ethyl (E)-2-[(1S,2S)-1-(dioxidanyl)-2-oxidanyl-propyl]octadec-2-enoate Openeye Name: ethyl (E)-2-[(1S,2S)-1-hydroperoxy-2-hydroxy-propyl]octadec-2-enoate CAS Name: (E)-2-[(1S,2S)-1-hydroperoxy-2-hydroxypropyl]-2-octadecenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[(1S,2S)-1-hydroperoxy-2-hydroxypropyl]octadec-2-enoate Traditional Name: (E)-2-[(1S,2S)-1-hydroperoxy-2-hydroxy-propyl]octadec-2-enoic acid ethyl ester Formula: C23H44O5 MolecularWeight: 400.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C(C(C(C)O)OO)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C(\[C@@H]([C@H](C)O)OO)/C(=O)OCC

InChI

InChI=1S/C23H44O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23(25)27-5-2)22(28-26)20(3)24/h19-20,22,24,26H,4-18H2,1-3H3/b21-19+/t20-,22+/m0/s1