icosan-9-yl (Z)-12-oxidanyloctadec-9-enoate

Systemtic Name: icosan-9-yl (Z)-12-oxidanyloctadec-9-enoate Openeye Name: 1-octyldodecyl (Z)-12-hydroxyoctadec-9-enoate CAS Name: (Z)-12-hydroxy-9-octadecenoic acid eicosan-9-yl ester IUPAC Name: icosan-9-yl (Z)-12-hydroxyoctadec-9-enoate Traditional Name: (Z)-12-hydroxyoctadec-9-enoic acid 1-octyldodecyl ester Formula: C38H74O3 MolecularWeight: 578.99236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCC=CCC(CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC/C=C\CC(CCCCCC)O

InChI

InChI=1S/C38H74O3/c1-4-7-10-13-15-16-20-24-29-34-37(33-28-23-14-11-8-5-2)41-38(40)35-30-25-21-18-17-19-22-27-32-36(39)31-26-12-9-6-3/h22,27,36-37,39H,4-21,23-26,28-35H2,1-3H3/b27-22-