[4-oxidanylidene-4-[(E)-18-oxidanylidenenonadec-9-en-7-yl]oxy-butyl] (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: [4-oxidanylidene-4-[(E)-18-oxidanylidenenonadec-9-en-7-yl]oxy-butyl] (E)-12-oxidanyloctadec-9-enoate Openeye Name: [4-[(E)-1-hexyl-12-oxo-tridec-3-enoxy]-4-oxo-butyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid [4-oxo-4-[(E)-18-oxononadec-9-en-7-yl]oxybutyl] ester IUPAC Name: [4-oxo-4-[(E)-18-oxononadec-9-en-7-yl]oxybutyl] (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid [4-[(E)-1-hexyl-12-keto-tridec-3-enoxy]-4-keto-butyl] ester Formula: C41H74O6 MolecularWeight: 663.02266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H74O6/c1-4-6-8-23-30-38(43)31-24-19-15-11-13-17-21-27-34-40(44)46-36-28-35-41(45)47-39(32-25-9-7-5-2)33-26-20-16-12-10-14-18-22-29-37(3)42/h19-20,24,26,38-39,43H,4-18,21-23,25,27-36H2,1-3H3/b24-19+,26-20+