[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; pentanedioic acid

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; pentanedioic acid Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; glutaric acid CAS Name: (E)-9-octadecenoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester; pentanedioic acid IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate; pentanedioic acid Traditional Name: glutaric acid; (E)-octadec-9-enoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C46H86NO12P MolecularWeight: 876.148301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC.C(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC.C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C41H78NO8P.C5H8O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;6-4(7)2-1-3-5(8)9/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46);1-3H2,(H,6,7)(H,8,9)/b19-17+,20-18+;