3-[[3-methyl-2-[(triphenylmethyl)amino]butanoyl]oxymethyl]-4-octadecanoyloxy-hexanoate

Systemtic Name: 3-[[3-methyl-2-[(triphenylmethyl)amino]butanoyl]oxymethyl]-4-octadecanoyloxy-hexanoate Openeye Name: 3-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-4-octadecanoyloxy-hexanoate CAS Name: 3-[[3-methyl-1-oxo-2-[(triphenylmethyl)amino]butoxy]methyl]-4-(1-oxooctadecoxy)hexanoate IUPAC Name: 3-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-4-octadecanoyloxyhexanoate Traditional Name: 3-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-4-stearoyloxy-hexanoate Formula: C49H70NO6- MolecularWeight: 769.0832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CC)C(CC(=O)[O-])COC(=O)C(C(C)C)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CC)C(CC(=O)[O-])COC(=O)C(C(C)C)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C49H71NO6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36-46(53)56-44(6-2)40(37-45(51)52)38-55-48(54)47(39(3)4)50-49(41-30-23-20-24-31-41,42-32-25-21-26-33-42)43-34-27-22-28-35-43/h20-28,30-35,39-40,44,47,50H,5-19,29,36-38H2,1-4H3,(H,51,52)/p-1