N-[16-methyl-3,4-bis(oxidanyl)heptadecyl]-2-oxidanyl-tetracosanamide

Systemtic Name: N-[16-methyl-3,4-bis(oxidanyl)heptadecyl]-2-oxidanyl-tetracosanamide Openeye Name: N-(3,4-dihydroxy-16-methyl-heptadecyl)-2-hydroxy-tetracosanamide CAS Name: N-(3,4-dihydroxy-16-methylheptadecyl)-2-hydroxytetracosanamide IUPAC Name: N-(3,4-dihydroxy-16-methylheptadecyl)-2-hydroxytetracosanamide Traditional Name: N-(3,4-dihydroxy-16-methyl-heptadecyl)-2-hydroxy-lignoceramide Formula: C42H85NO4 MolecularWeight: 668.1286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NCCC(C(CCCCCCCCCCCC(C)C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NCCC(C(CCCCCCCCCCCC(C)C)O)O)O

InChI

InChI=1S/C42H85NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-41(46)42(47)43-37-36-40(45)39(44)34-31-28-25-23-20-21-24-27-30-33-38(2)3/h38-41,44-46H,4-37H2,1-3H3,(H,43,47)