sodium (4-methylphenyl)sulfonyloxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxy-propoxy]phosphinate

Systemtic Name: sodium (4-methylphenyl)sulfonyloxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxy-propoxy]phosphinate Openeye Name: sodium [(2S)-2-benzyloxy-3-octadecoxy-propoxy]-(p-tolylsulfonyloxymethyl)phosphinate CAS Name: sodium (4-methylphenyl)sulfonyloxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinate IUPAC Name: sodium (4-methylphenyl)sulfonyloxymethyl-[(2S)-3-octadecoxy-2-phenylmethoxypropoxy]phosphinate Traditional Name: sodium [(2S)-2-benzoxy-3-stearyloxy-propoxy]-(tosyloxymethyl)phosphinate Formula: C36H58NaO8PS MolecularWeight: 704.869451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)[O-])OCC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)[O-])OCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C36H59O8PS.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-41-30-35(42-29-34-22-19-18-20-23-34)31-43-45(37,38)32-44-46(39,40)36-26-24-33(2)25-27-36;/h18-20,22-27,35H,3-17,21,28-32H2,1-2H3,(H,37,38);/q;+1/p-1/t35-;/m0./s1