[2-methanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CC[NH+]1CCCC1)O)OC=O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CC[NH+]1CCCC1)O)OC=O

InChI

InChI=1S/C27H54NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(2)22-32-23-27(33-25-29)24-34-35(30,31)21-20-28-18-15-16-19-28/h25-27H,3-24H2,1-2H3,(H,30,31)/p+1