(3-pentadecoxy-2-propanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

Systemtic Name: (3-pentadecoxy-2-propanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (3-pentadecoxy-2-propanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: [2-(1-oxopropoxy)-3-pentadecoxypropoxy]-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (3-pentadecoxy-2-propanoyloxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (3-pentadecoxy-2-propionyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C27H55NO6P+ MolecularWeight: 520.702461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H54NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-32-24-26(34-27(29)4-2)25-33-35(30,31)23-21-28-19-16-17-20-28/h26H,3-25H2,1-2H3,(H,30,31)/p+1