(3-hexadecoxy-2-methanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

Systemtic Name: (3-hexadecoxy-2-methanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (2-formyloxy-3-hexadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: (2-formyloxy-3-hexadecoxypropoxy)-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (2-formyloxy-3-hexadecoxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (3-cetyloxy-2-formyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C26H53NO6P+ MolecularWeight: 506.675881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-31-23-26(32-25-28)24-33-34(29,30)22-20-27-18-15-16-19-27/h25-26H,2-24H2,1H3,(H,29,30)/p+1