[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 5-pyrrolidin-1-ylpentyl phosphate

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 5-pyrrolidin-1-ylpentyl phosphate Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 5-pyrrolidin-1-ylpentyl phosphate CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl] 5-(1-pyrrolidinyl)pentyl phosphate IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 5-pyrrolidin-1-ylpentyl phosphate Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl) 5-pyrrolidinopentyl phosphate Formula: C34H65NO8P- MolecularWeight: 646.855561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCN1CCCC1)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCN1CCCC1)OC(=O)CC(=O)C

InChI

InChI=1S/C34H66NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-40-30-33(43-34(37)29-32(2)36)31-42-44(38,39)41-28-23-18-19-24-35-25-20-21-26-35/h33H,3-31H2,1-2H3,(H,38,39)/p-1