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docosyl (Z,12R)-12-oxidanyloctadec-9-enoate

docosyl (Z,12R)-12-oxidanyloctadec-9-enoate

Systemtic Name:docosyl (Z,12R)-12-oxidanyloctadec-9-enoate
Openeye Name:docosyl (Z,12R)-12-hydroxyoctadec-9-enoate
CAS Name:(Z,12R)-12-hydroxy-9-octadecenoic acid docosyl ester
IUPAC Name:docosyl (Z,12R)-12-hydroxyoctadec-9-enoate
Traditional Name:(Z,12R)-12-hydroxyoctadec-9-enoic acid behenyl ester
Formula: C40H78O3
MolecularWeight: 607.04552
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O


InChI

InChI=1S/C40H78O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-34-38-43-40(42)37-33-29-26-23-22-25-28-32-36-39(41)35-31-8-6-4-2/h28,32,39,41H,3-27,29-31,33-38H2,1-2H3/b32-28-/t39-/m1/s1


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