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

Systemtic Name: [2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid Openeye Name: [2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid CAS Name: [3-(2-methylhexadecoxy)-2-(1-oxobutoxy)propoxy]-[2-(1-pyrrolidinyl)ethyl]phosphinic acid IUPAC Name: [2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid Traditional Name: [2-butyryloxy-3-(2-methylhexadecoxy)propoxy]-(2-pyrrolidinoethyl)phosphinic acid Formula: C30H60NO6P MolecularWeight: 561.774261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CCN1CCCC1)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CCN1CCCC1)O)OC(=O)CCC

InChI

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