[2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-dimethylaminoethyl)phosphinic acid

Systemtic Name: [2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-dimethylaminoethyl)phosphinic acid Openeye Name: [2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-dimethylaminoethyl)phosphinic acid CAS Name: 2-dimethylaminoethyl-[3-(2-methylhexadecoxy)-2-(1-oxobutoxy)propoxy]phosphinic acid IUPAC Name: [2-butanoyloxy-3-(2-methylhexadecoxy)propoxy]-(2-dimethylaminoethyl)phosphinic acid Traditional Name: [2-butyryloxy-3-(2-methylhexadecoxy)propoxy]-(2-dimethylaminoethyl)phosphinic acid Formula: C28H58NO6P MolecularWeight: 535.736981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-26(3)23-33-24-27(35-28(30)19-7-2)25-34-36(31,32)22-21-29(4)5/h26-27H,6-25H2,1-5H3,(H,31,32)