12-oxidanyl-N-[[3-[(12-oxidanyloctadecanoylamino)methyl]phenyl]methyl]octadecanamide

Systemtic Name: 12-oxidanyl-N-[[3-[(12-oxidanyloctadecanoylamino)methyl]phenyl]methyl]octadecanamide Openeye Name: 12-hydroxy-N-[[3-[(12-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide CAS Name: 12-hydroxy-N-[[3-[[(12-hydroxy-1-oxooctadecyl)amino]methyl]phenyl]methyl]octadecanamide IUPAC Name: 12-hydroxy-N-[[3-[(12-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide Traditional Name: 12-hydroxy-N-[3-[(12-hydroxyoctadecanoylamino)methyl]benzyl]stearamide Formula: C44H80N2O4 MolecularWeight: 701.117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)NCC1=CC(=CC=C1)CNC(=O)CCCCCCCCCCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)NCC1=CC(=CC=C1)CNC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C44H80N2O4/c1-3-5-7-21-30-41(47)32-23-17-13-9-11-15-19-25-34-43(49)45-37-39-28-27-29-40(36-39)38-46-44(50)35-26-20-16-12-10-14-18-24-33-42(48)31-22-8-6-4-2/h27-29,36,41-42,47-48H,3-26,30-35,37-38H2,1-2H3,(H,45,49)(H,46,50)