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methyl (E,3R,6R)-3-(dioxidanyl)-6-oxidanyl-docos-4-enoate

methyl (E,3R,6R)-3-(dioxidanyl)-6-oxidanyl-docos-4-enoate

Systemtic Name:methyl (E,3R,6R)-3-(dioxidanyl)-6-oxidanyl-docos-4-enoate
Openeye Name:methyl (E,3R,6R)-3-hydroperoxy-6-hydroxy-docos-4-enoate
CAS Name:(E,3R,6R)-3-hydroperoxy-6-hydroxy-4-docosenoic acid methyl ester
IUPAC Name:methyl (E,3R,6R)-3-hydroperoxy-6-hydroxydocos-4-enoate
Traditional Name:(E,3R,6R)-3-hydroperoxy-6-hydroxy-docos-4-enoic acid methyl ester
Formula: C23H44O5
MolecularWeight: 400.59246
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)18-19-22(28-26)20-23(25)27-2/h18-19,21-22,24,26H,3-17,20H2,1-2H3/b19-18+/t21-,22+/m1/s1


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