(2-butanoyloxy-3-heptadecoxy-propoxy)-(2-pyrrolidin-1-ium-1-ylethyl)phosphinic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-35-27-29(37-30(32)21-4-2)28-36-38(33,34)26-24-31-22-18-19-23-31/h29H,3-28H2,1-2H3,(H,33,34)/p+1