(E)-12-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-en-7-yl]oxyoctadec-9-enoic acid

Systemtic Name: (E)-12-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-en-7-yl]oxyoctadec-9-enoic acid Openeye Name: (E)-12-[(E)-1-hexyl-12-hydroxy-12-oxo-dodec-3-enoxy]octadec-9-enoic acid CAS Name: (E)-12-[(E)-18-hydroxy-18-oxooctadec-9-en-7-yl]oxy-9-octadecenoic acid IUPAC Name: (E)-12-[(E)-18-hydroxy-18-oxooctadec-9-en-7-yl]oxyoctadec-9-enoic acid Traditional Name: (E)-12-[(E)-1-hexyl-12-hydroxy-12-keto-dodec-3-enoxy]octadec-9-enoic acid Formula: C36H66O5 MolecularWeight: 578.90624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66O5/c1-3-5-7-21-27-33(29-23-17-13-9-11-15-19-25-31-35(37)38)41-34(28-22-8-6-4-2)30-24-18-14-10-12-16-20-26-32-36(39)40/h17-18,23-24,33-34H,3-16,19-22,25-32H2,1-2H3,(H,37,38)(H,39,40)/b23-17+,24-18+