5-octadecoxy-4-(phenylmethoxymethyl)-5-(phenylmethylsulfanyl)pentan-1-amine

Systemtic Name: 5-octadecoxy-4-(phenylmethoxymethyl)-5-(phenylmethylsulfanyl)pentan-1-amine Openeye Name: 4-(benzyloxymethyl)-5-benzylsulfanyl-5-octadecoxy-pentan-1-amine CAS Name: 5-octadecoxy-4-(phenylmethoxymethyl)-5-(phenylmethylthio)-1-pentanamine IUPAC Name: 5-benzylsulfanyl-5-octadecoxy-4-(phenylmethoxymethyl)pentan-1-amine Traditional Name: [4-(benzoxymethyl)-5-(benzylthio)-5-stearyloxy-pentyl]amine Formula: C38H63NO2S MolecularWeight: 597.97732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C(CCCN)COCC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C(CCCN)COCC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C38H63NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-41-38(42-34-36-27-21-18-22-28-36)37(29-24-30-39)33-40-32-35-25-19-17-20-26-35/h17-22,25-28,37-38H,2-16,23-24,29-34,39H2,1H3