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

Systemtic Name: disodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate Openeye Name: disodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate CAS Name: disodium [(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl] phosphate IUPAC Name: disodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate Traditional Name: disodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate Formula: C39H71Na2O8P MolecularWeight: 744.929541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H73O8P.2Na/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;2*+1/p-2/b19-17-,20-18-;;/t37-;;/m1../s1