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

Systemtic Name: N-[3,4-bis(oxidanyl)icosyl]-2-oxidanyl-hexacosanamide Openeye Name: N-(3,4-dihydroxyicosyl)-2-hydroxy-hexacosanamide CAS Name: N-(3,4-dihydroxyeicosyl)-2-hydroxyhexacosanamide IUPAC Name: N-(3,4-dihydroxyicosyl)-2-hydroxyhexacosanamide Traditional Name: N-(3,4-dihydroxyeicosyl)-2-hydroxy-cerotamide Formula: C46H93NO4 MolecularWeight: 724.23492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NCCC(C(CCCCCCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NCCC(C(CCCCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C46H93NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-45(50)46(51)47-42-41-44(49)43(48)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h43-45,48-50H,3-42H2,1-2H3,(H,47,51)