sodium 3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinate

Systemtic Name: sodium 3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinate Openeye Name: sodium 3-hexadecoxypropoxy(p-tolylsulfonyloxymethyl)phosphinate CAS Name: sodium 3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinate IUPAC Name: sodium 3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinate Traditional Name: sodium 3-cetyloxypropoxy(tosyloxymethyl)phosphinate Formula: C27H48NaO7PS MolecularWeight: 570.694351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)[O-].[Na+]

InChI

InChI=1S/C27H49O7PS.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-23-17-24-33-35(28,29)25-34-36(30,31)27-20-18-26(2)19-21-27;/h18-21H,3-17,22-25H2,1-2H3,(H,28,29);/q;+1/p-1