[(2R)-3-[butoxy(oxidanyl)phosphoryl]oxy-2-hexadec-15-ynoyloxy-propyl] hexadec-15-ynoate

Systemtic Name: [(2R)-3-[butoxy(oxidanyl)phosphoryl]oxy-2-hexadec-15-ynoyloxy-propyl] hexadec-15-ynoate Openeye Name: [(2R)-3-[butoxy(hydroxy)phosphoryl]oxy-2-hexadec-15-ynoyloxy-propyl] hexadec-15-ynoate CAS Name: 15-hexadecynoic acid [(2R)-3-[butoxy(hydroxy)phosphoryl]oxy-2-(1-oxohexadec-15-ynoxy)propyl] ester IUPAC Name: [(2R)-3-[butoxy(hydroxy)phosphoryl]oxy-2-hexadec-15-ynoyloxypropyl] hexadec-15-ynoate Traditional Name: hexadec-15-ynoic acid [(2R)-3-[butoxy(hydroxy)phosphoryl]oxy-2-hexadec-15-ynoyloxy-propyl] ester Formula: C39H69O8P MolecularWeight: 696.934121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC#C)OC(=O)CCCCCCCCCCCCCC#C

Isomeric SMILES

CCCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC#C)OC(=O)CCCCCCCCCCCCCC#C

InChI

InChI=1S/C39H69O8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-38(40)44-35-37(36-46-48(42,43)45-34-9-6-3)47-39(41)33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h1-2,37H,6-36H2,3H3,(H,42,43)/t37-/m1/s1