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

Systemtic Name: (2-methanoyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (2-formyloxy-3-octadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: (2-formyloxy-3-octadecoxypropoxy)-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (2-formyloxy-3-octadecoxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (2-formyloxy-3-stearyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C28H57NO6P+ MolecularWeight: 534.729041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-33-25-28(34-27-30)26-35-36(31,32)24-22-29-20-17-18-21-29/h27-28H,2-26H2,1H3,(H,31,32)/p+1