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

Systemtic Name: (2-butanoyloxy-3-hexadecoxy-propoxy)-(2-pyrrolidin-1-ylethyl)phosphinic acid Openeye Name: (2-butanoyloxy-3-hexadecoxy-propoxy)-(2-pyrrolidin-1-ylethyl)phosphinic acid CAS Name: [3-hexadecoxy-2-(1-oxobutoxy)propoxy]-[2-(1-pyrrolidinyl)ethyl]phosphinic acid IUPAC Name: (2-butanoyloxy-3-hexadecoxypropoxy)-(2-pyrrolidin-1-ylethyl)phosphinic acid Traditional Name: (2-butyryloxy-3-cetyloxy-propoxy)-(2-pyrrolidinoethyl)phosphinic acid Formula: C29H58NO6P MolecularWeight: 547.747681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCN1CCCC1)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCN1CCCC1)O)OC(=O)CCC

InChI

InChI=1S/C29H58NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-34-26-28(36-29(31)20-4-2)27-35-37(32,33)25-23-30-21-17-18-22-30/h28H,3-27H2,1-2H3,(H,32,33)