sodium (4-methylphenyl)sulfonyloxymethyl-[3-[(E)-octadec-9-enoxy]propoxy]phosphinate

Systemtic Name: sodium (4-methylphenyl)sulfonyloxymethyl-[3-[(E)-octadec-9-enoxy]propoxy]phosphinate Openeye Name: sodium 3-[(E)-octadec-9-enoxy]propoxy-(p-tolylsulfonyloxymethyl)phosphinate CAS Name: sodium (4-methylphenyl)sulfonyloxymethyl-[3-[(E)-octadec-9-enoxy]propoxy]phosphinate IUPAC Name: sodium (4-methylphenyl)sulfonyloxymethyl-[3-[(E)-octadec-9-enoxy]propoxy]phosphinate Traditional Name: sodium 3-[(E)-octadec-9-enoxy]propoxy-(tosyloxymethyl)phosphinate Formula: C29H50NaO7PS MolecularWeight: 596.731631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCCCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)[O-].[Na+]

InChI

InChI=1S/C29H51O7PS.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-34-25-19-26-35-37(30,31)27-36-38(32,33)29-22-20-28(2)21-23-29;/h10-11,20-23H,3-9,12-19,24-27H2,1-2H3,(H,30,31);/q;+1/p-1/b11-10+;