N-[3,4-bis(oxidanyl)henicosyl]-2-oxidanyl-hexacosanamide

Systemtic Name: N-[3,4-bis(oxidanyl)henicosyl]-2-oxidanyl-hexacosanamide Openeye Name: N-(3,4-dihydroxyhenicosyl)-2-hydroxy-hexacosanamide CAS Name: N-(3,4-dihydroxyheneicosyl)-2-hydroxyhexacosanamide IUPAC Name: N-(3,4-dihydroxyhenicosyl)-2-hydroxyhexacosanamide Traditional Name: N-(3,4-dihydroxyheneicosyl)-2-hydroxy-cerotamide Formula: C47H95NO4 MolecularWeight: 738.2615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NCCC(C(CCCCCCCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NCCC(C(CCCCCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C47H95NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(51)47(52)48-43-42-45(50)44(49)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h44-46,49-51H,3-43H2,1-2H3,(H,48,52)