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

Systemtic Name: (3-hexadecoxy-2-propanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: (3-hexadecoxy-2-propanoyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: [3-hexadecoxy-2-(1-oxopropoxy)propoxy]-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: (3-hexadecoxy-2-propanoyloxypropoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: (3-cetyloxy-2-propionyloxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C28H57NO6P+ MolecularWeight: 534.729041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-33-25-27(35-28(30)4-2)26-34-36(31,32)24-22-29-20-17-18-21-29/h27H,3-26H2,1-2H3,(H,31,32)/p+1