[1-[2-[bis(azanyl)methylideneamino]ethoxy-oxidanyl-phosphoryl]oxy-3-[(E)-heptadec-8-enoyl]oxy-propan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1-[2-[bis(azanyl)methylideneamino]ethoxy-oxidanyl-phosphoryl]oxy-3-[(E)-heptadec-8-enoyl]oxy-propan-2-yl] (E)-octadec-9-enoate Openeye Name: [1-[[2-guanidinoethoxy(hydroxy)phosphoryl]oxymethyl]-2-[(E)-heptadec-8-enoyl]oxy-ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-[2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl]oxy-3-[(E)-1-oxoheptadec-8-enoxy]propan-2-yl] ester IUPAC Name: [1-[2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl]oxy-3-[(E)-heptadec-8-enoyl]oxypropan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [1-[[2-guanidinoethoxy(hydroxy)phosphoryl]oxymethyl]-2-[(E)-heptadec-8-enoyl]oxy-ethyl] ester Formula: C41H78N3O8P MolecularWeight: 772.047081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN=C(N)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC/C=C/CCCCCCCC)COP(=O)(O)OCCN=C(N)N

InChI

InChI=1S/C41H78N3O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(46)52-38(37-51-53(47,48)50-35-34-44-41(42)43)36-49-39(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38H,3-16,21-37H2,1-2H3,(H,47,48)(H4,42,43,44)/b19-17+,20-18+