[2-acetyloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

Systemtic Name: [2-acetyloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: [2-acetoxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: [2-acetyloxy-3-(3-ethylpentadecoxy)propoxy]-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: [2-acetyloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: [2-acetoxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C28H57NO6P+ MolecularWeight: 534.729041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC)CCOCC(COP(=O)(CC[NH+]1CCCC1)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCC(CC)CCOCC(COP(=O)(CC[NH+]1CCCC1)O)OC(=O)C

InChI

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