sodium [(2R)-3-hexadecanoyloxy-2-[(8Z,11Z)-octadeca-8,11-dienoyl]oxy-propyl] hydrogen phosphate

Systemtic Name: sodium [(2R)-3-hexadecanoyloxy-2-[(8Z,11Z)-octadeca-8,11-dienoyl]oxy-propyl] hydrogen phosphate Openeye Name: sodium [(2R)-3-hexadecanoyloxy-2-[(8Z,11Z)-octadeca-8,11-dienoyl]oxy-propyl] hydrogen phosphate CAS Name: sodium [(2R)-3-(1-oxohexadecoxy)-2-[(8Z,11Z)-1-oxooctadeca-8,11-dienoxy]propyl] hydrogen phosphate IUPAC Name: sodium [(2R)-3-hexadecanoyloxy-2-[(8Z,11Z)-octadeca-8,11-dienoyl]oxypropyl] hydrogen phosphate Traditional Name: sodium [(2R)-3-hexadecanoyloxy-2-[(8Z,11Z)-octadeca-8,11-dienoyl]oxy-propyl] hydrogen phosphate Formula: C37H68NaO8P MolecularWeight: 694.894551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC=CCC=CCCCCCC.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C37H69O8P.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;/h13,15,18,20,35H,3-12,14,16-17,19,21-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/b15-13-,20-18-;/t35-;/m1./s1