(2-butanoyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

Systemtic Name: (2-butanoyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (2-butanoyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: [3-octadecoxy-2-(1-oxobutoxy)propoxy]-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (2-butanoyloxy-3-octadecoxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (2-butyryloxy-3-stearyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C31H63NO6P+ MolecularWeight: 576.808781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+]1CCCC1)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+]1CCCC1)O)OC(=O)CCC

InChI

InChI=1S/C31H62NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-36-28-30(38-31(33)22-4-2)29-37-39(34,35)27-25-32-23-19-20-24-32/h30H,3-29H2,1-2H3,(H,34,35)/p+1