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

Systemtic Name: [3-(3-ethylpentadecoxy)-2-propanoyloxy-propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Openeye Name: [3-(3-ethylpentadecoxy)-2-propanoyloxy-propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid CAS Name: [3-(3-ethylpentadecoxy)-2-(1-oxopropoxy)propoxy]-[2-(1-pyrrolidin-1-iumyl)ethyl]phosphinic acid IUPAC Name: [3-(3-ethylpentadecoxy)-2-propanoyloxypropoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Traditional Name: [3-(3-ethylpentadecoxy)-2-propionyloxy-propoxy]-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid Formula: C29H59NO6P+ MolecularWeight: 548.755621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H58NO6P/c1-4-7-8-9-10-11-12-13-14-15-18-27(5-2)19-23-34-25-28(36-29(31)6-3)26-35-37(32,33)24-22-30-20-16-17-21-30/h27-28H,4-26H2,1-3H3,(H,32,33)/p+1