methyl (E,3R,6R)-3-(2-methoxypropan-2-ylperoxy)-6-oxidanyl-docos-4-enoate

Systemtic Name: methyl (E,3R,6R)-3-(2-methoxypropan-2-ylperoxy)-6-oxidanyl-docos-4-enoate Openeye Name: methyl (E,3R,6R)-6-hydroxy-3-(1-methoxy-1-methyl-ethyl)peroxy-docos-4-enoate CAS Name: (E,3R,6R)-6-hydroxy-3-(2-methoxypropan-2-yldioxy)-4-docosenoic acid methyl ester IUPAC Name: methyl (E,3R,6R)-6-hydroxy-3-(2-methoxypropan-2-ylperoxy)docos-4-enoate Traditional Name: (E,3R,6R)-6-hydroxy-3-(1-methoxy-1-methyl-ethyl)peroxy-docos-4-enoic acid methyl ester Formula: C27H52O6 MolecularWeight: 472.69818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)21-22-25(23-26(29)30-4)32-33-27(2,3)31-5/h21-22,24-25,28H,6-20,23H2,1-5H3/b22-21+/t24-,25+/m1/s1