(E)-2-hexadecyl-5-(hydroxymethyl)-5-oxidanyl-heptadec-2-enedioic acid

Systemtic Name: (E)-2-hexadecyl-5-(hydroxymethyl)-5-oxidanyl-heptadec-2-enedioic acid Openeye Name: (E)-2-hexadecyl-5-hydroxy-5-(hydroxymethyl)heptadec-2-enedioic acid CAS Name: (E)-2-hexadecyl-5-hydroxy-5-(hydroxymethyl)-2-heptadecenedioic acid IUPAC Name: (E)-2-hexadecyl-5-hydroxy-5-(hydroxymethyl)heptadec-2-enedioic acid Traditional Name: (E)-2-cetyl-5-hydroxy-5-methylol-heptadec-2-enedioic acid Formula: C34H64O6 MolecularWeight: 568.86836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=CCC(CCCCCCCCCCCC(=O)O)(CO)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C(=C\CC(CCCCCCCCCCCC(=O)O)(CO)O)/C(=O)O

InChI

InChI=1S/C34H64O6/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-25-31(33(38)39)27-29-34(40,30-35)28-24-21-18-15-12-14-17-20-23-26-32(36)37/h27,35,40H,2-26,28-30H2,1H3,(H,36,37)(H,38,39)/b31-27+