bis[(10E,12E)-9-oxidanylidenehexacosa-10,12-dienyl] hydrogen phosphate

Systemtic Name: bis[(10E,12E)-9-oxidanylidenehexacosa-10,12-dienyl] hydrogen phosphate Openeye Name: bis[(10E,12E)-9-oxohexacosa-10,12-dienyl] hydrogen phosphate CAS Name: bis[(10E,12E)-9-oxohexacosa-10,12-dienyl] hydrogen phosphate IUPAC Name: bis[(10E,12E)-9-oxohexacosa-10,12-dienyl] hydrogen phosphate Traditional Name: bis[(10E,12E)-9-ketohexacosa-10,12-dienyl] hydrogen phosphate Formula: C52H95O6P MolecularWeight: 847.280861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC=CC(=O)CCCCCCCCOP(=O)(O)OCCCCCCCCC(=O)C=CC=CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C=C/C(=O)CCCCCCCCOP(=O)(OCCCCCCCCC(=O)/C=C/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C52H95O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-39-45-51(53)47-41-35-29-31-37-43-49-57-59(55,56)58-50-44-38-32-30-36-42-48-52(54)46-40-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,33-34,39-40,45-46H,3-26,29-32,35-38,41-44,47-50H2,1-2H3,(H,55,56)/b33-27+,34-28+,45-39+,46-40+