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

Systemtic Name: sodium [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate Openeye Name: sodium [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate CAS Name: sodium [(2R)-3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] hydrogen phosphate IUPAC Name: sodium [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate Traditional Name: sodium [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] hydrogen phosphate Formula: C37H70NaO8P MolecularWeight: 696.910431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H71O8P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/b18-17-;/t35-;/m1./s1