2-(1-phenoxy-1-phenyl-tetradecyl)-1,1-diphenyl-2-(14-tridecoxyheptacosan-14-yl)propane-1,3-diol

Systemtic Name: 2-(1-phenoxy-1-phenyl-tetradecyl)-1,1-diphenyl-2-(14-tridecoxyheptacosan-14-yl)propane-1,3-diol Openeye Name: 2-(1-phenoxy-1-phenyl-tetradecyl)-1,1-diphenyl-2-(1-tridecoxy-1-tridecyl-tetradecyl)propane-1,3-diol CAS Name: 2-(1-phenoxy-1-phenyltetradecyl)-1,1-diphenyl-2-(14-tridecoxyheptacosan-14-yl)propane-1,3-diol IUPAC Name: 2-(1-phenoxy-1-phenyltetradecyl)-1,1-diphenyl-2-(14-tridecoxyheptacosan-14-yl)propane-1,3-diol Traditional Name: 2-(1-phenoxy-1-phenyl-tetradecyl)-1,1-diphenyl-2-(1-tridecoxy-1-tridecyl-tetradecyl)propane-1,3-diol Formula: C81H132O4 MolecularWeight: 1169.91238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(CO)(C(CCCCCCCCCCCCC)(C1=CC=CC=C1)OC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(CO)(C(CCCCCCCCCCCCC)(C1=CC=CC=C1)OC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCCCCCCCCCCCCC

InChI

InChI=1S/C81H132O4/c1-5-9-13-17-21-25-29-33-37-41-57-69-78(70-58-42-38-34-30-26-22-18-14-10-6-2,84-72-60-44-40-36-32-28-24-20-16-12-8-4)80(73-82,81(83,75-63-51-46-52-64-75)76-65-53-47-54-66-76)79(74-61-49-45-50-62-74,85-77-67-55-48-56-68-77)71-59-43-39-35-31-27-23-19-15-11-7-3/h45-56,61-68,82-83H,5-44,57-60,69-73H2,1-4H3