sodium 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl hydrogen phosphate

Systemtic Name: sodium 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl hydrogen phosphate Openeye Name: sodium 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl hydrogen phosphate CAS Name: sodium 2,3-bis[(Z)-1-oxodocos-13-enoxy]propyl hydrogen phosphate IUPAC Name: sodium 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl hydrogen phosphate Traditional Name: sodium 2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl hydrogen phosphate Formula: C47H88NaO8P MolecularWeight: 835.160351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC.[Na+]

InChI

InChI=1S/C47H89O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,45H,3-16,21-44H2,1-2H3,(H2,50,51,52);/q;+1/p-1/b19-17-,20-18-;