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

Systemtic Name: sodium 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl hydrogen phosphate Openeye Name: sodium 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl hydrogen phosphate CAS Name: sodium 2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl hydrogen phosphate IUPAC Name: sodium 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl hydrogen phosphate Traditional Name: sodium 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl hydrogen phosphate Formula: C39H72NaO8P MolecularWeight: 722.947711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44);/q;+1/p-1/b19-17-,20-18-;