disodium [3-[(E)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] phosphate

Systemtic Name: disodium [3-[(E)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] phosphate Openeye Name: disodium [2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propyl] phosphate CAS Name: disodium [2-hydroxy-3-[(E)-1-oxooctadec-9-enoxy]propyl] phosphate IUPAC Name: disodium [2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] phosphate Traditional Name: disodium [2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propyl] phosphate Formula: C21H39Na2O7P MolecularWeight: 480.483461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C21H41O7P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26;;/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26);;/q;2*+1/p-2/b10-9+;;