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methyl (E,5R,6R)-5-(dioxidanyl)-6-oxidanyl-docos-3-enoate

methyl (E,5R,6R)-5-(dioxidanyl)-6-oxidanyl-docos-3-enoate

Systemtic Name:methyl (E,5R,6R)-5-(dioxidanyl)-6-oxidanyl-docos-3-enoate
Openeye Name:methyl (E,5R,6R)-5-hydroperoxy-6-hydroxy-docos-3-enoate
CAS Name:(E,5R,6R)-5-hydroperoxy-6-hydroxy-3-docosenoic acid methyl ester
IUPAC Name:methyl (E,5R,6R)-5-hydroperoxy-6-hydroxydocos-3-enoate
Traditional Name:(E,5R,6R)-5-hydroperoxy-6-hydroxy-docos-3-enoic acid methyl ester
Formula: C23H44O5
MolecularWeight: 400.59246
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C=CCC(=O)OC)OO)O


Isomeric SMILES

CCCCCCCCCCCCCCCC[C@H]([C@@H](/C=C/CC(=O)OC)OO)O


InChI

InChI=1S/C23H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22(28-26)19-17-20-23(25)27-2/h17,19,21-22,24,26H,3-16,18,20H2,1-2H3/b19-17+/t21-,22-/m1/s1


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