N-[(E)-2-(hydroxymethyl)-3,6-bis(oxidanyl)octadec-4-enyl]-3-oxidanyl-tetracosanamide

Systemtic Name: N-[(E)-2-(hydroxymethyl)-3,6-bis(oxidanyl)octadec-4-enyl]-3-oxidanyl-tetracosanamide Openeye Name: N-[(E)-3,6-dihydroxy-2-(hydroxymethyl)octadec-4-enyl]-3-hydroxy-tetracosanamide CAS Name: N-[(E)-3,6-dihydroxy-2-(hydroxymethyl)octadec-4-enyl]-3-hydroxytetracosanamide IUPAC Name: N-[(E)-3,6-dihydroxy-2-(hydroxymethyl)octadec-4-enyl]-3-hydroxytetracosanamide Traditional Name: N-[(E)-3,6-dihydroxy-2-methylol-octadec-4-enyl]-3-hydroxy-lignoceramide Formula: C43H85NO5 MolecularWeight: 696.1387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(CC(=O)NCC(CO)C(C=CC(CCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(CC(=O)NCC(CO)C(/C=C/C(CCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C43H85NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-41(47)36-43(49)44-37-39(38-45)42(48)35-34-40(46)32-30-28-26-24-14-12-10-8-6-4-2/h34-35,39-42,45-48H,3-33,36-38H2,1-2H3,(H,44,49)/b35-34+