(E)-N-[1,3,4-tris(oxidanyl)octadecan-2-yl]tricos-14-enamide

Systemtic Name: (E)-N-[1,3,4-tris(oxidanyl)octadecan-2-yl]tricos-14-enamide Openeye Name: (E)-N-[2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]tricos-14-enamide CAS Name: (E)-N-(1,3,4-trihydroxyoctadecan-2-yl)-14-tricosenamide IUPAC Name: (E)-N-(1,3,4-trihydroxyoctadecan-2-yl)tricos-14-enamide Traditional Name: (E)-N-(2,3-dihydroxy-1-methylol-heptadecyl)tricos-14-enamide Formula: C41H81NO4 MolecularWeight: 652.08614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)CCCCCCCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C(CO)NC(=O)CCCCCCCCCCCC/C=C/CCCCCCCC)O)O

InChI

InChI=1S/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,38-39,41,43-44,46H,3-16,19-37H2,1-2H3,(H,42,45)/b18-17+