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

Systemtic Name: (3-heptadecoxy-2-methanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (2-formyloxy-3-heptadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: (2-formyloxy-3-heptadecoxypropoxy)-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (2-formyloxy-3-heptadecoxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (2-formyloxy-3-heptadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C27H55NO6P+ MolecularWeight: 520.702461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-32-24-27(33-26-29)25-34-35(30,31)23-21-28-19-16-17-20-28/h26-27H,2-25H2,1H3,(H,30,31)/p+1