[9-oxidanylidene-9-[(E)-tetradec-9-en-7-yl]oxy-nonyl] (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: [9-oxidanylidene-9-[(E)-tetradec-9-en-7-yl]oxy-nonyl] (E)-12-oxidanyloctadec-9-enoate Openeye Name: [9-[(E)-1-hexyloct-3-enoxy]-9-oxo-nonyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid [9-oxo-9-[(E)-tetradec-9-en-7-yl]oxynonyl] ester IUPAC Name: [9-oxo-9-[(E)-tetradec-9-en-7-yl]oxynonyl] (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid [9-[(E)-1-hexyloct-3-enoxy]-9-keto-nonyl] ester Formula: C41H76O5 MolecularWeight: 649.03914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCCCCCCC(=O)OC(CCCCCC)CC=CCCCC)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCCCCCCCC(=O)OC(CCCCCC)C/C=C/CCCC)O

InChI

InChI=1S/C41H76O5/c1-4-7-10-19-27-34-39(33-26-12-9-6-3)46-41(44)36-29-22-17-18-23-30-37-45-40(43)35-28-21-16-14-13-15-20-25-32-38(42)31-24-11-8-5-2/h19-20,25,27,38-39,42H,4-18,21-24,26,28-37H2,1-3H3/b25-20+,27-19+