[1-oxidanyl-4-oxidanylidene-3-[(E)-12-oxidanyloctadec-9-enoyl]oxy-pentan-2-yl] (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: [1-oxidanyl-4-oxidanylidene-3-[(E)-12-oxidanyloctadec-9-enoyl]oxy-pentan-2-yl] (E)-12-oxidanyloctadec-9-enoate Openeye Name: [1-(hydroxymethyl)-2-[(E)-12-hydroxyoctadec-9-enoyl]oxy-3-oxo-butyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid [1-hydroxy-3-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]-4-oxopentan-2-yl] ester IUPAC Name: [1-hydroxy-3-[(E)-12-hydroxyoctadec-9-enoyl]oxy-4-oxopentan-2-yl] (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid [2-[(E)-12-hydroxyoctadec-9-enoyl]oxy-3-keto-1-methylol-butyl] ester Formula: C41H74O8 MolecularWeight: 695.02146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(CO)C(C(=O)C)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C41H74O8/c1-4-6-8-22-28-36(44)30-24-18-14-10-12-16-20-26-32-39(46)48-38(34-42)41(35(3)43)49-40(47)33-27-21-17-13-11-15-19-25-31-37(45)29-23-9-7-5-2/h18-19,24-25,36-38,41-42,44-45H,4-17,20-23,26-34H2,1-3H3/b24-18+,25-19+