sodium [(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] hydrogen phosphate

Systemtic Name: sodium [(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] hydrogen phosphate Openeye Name: sodium [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate CAS Name: sodium [(2R)-2-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]propyl] hydrogen phosphate IUPAC Name: sodium [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate Traditional Name: sodium [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate Formula: C21H40NaO7P MolecularWeight: 458.501631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])O.[Na+]

InChI

InChI=1S/C21H41O7P.Na/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;+1/p-1/b10-9-;/t20-;/m1./s1