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

Systemtic Name: [2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: [2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: [3-(3-ethylpentadecoxy)-2-(1-oxobutoxy)propoxy]-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: [2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: [2-butyryloxy-3-(3-ethylpentadecoxy)propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C30H61NO6P+ MolecularWeight: 562.782201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60NO6P/c1-4-7-8-9-10-11-12-13-14-15-19-28(6-3)20-24-35-26-29(37-30(32)18-5-2)27-36-38(33,34)25-23-31-21-16-17-22-31/h28-29H,4-27H2,1-3H3,(H,33,34)/p+1