(2,2,4,7,8-pentahexadecyl-3,4-dihydrochromen-6-yl) dihydrogen phosphate

Systemtic Name: (2,2,4,7,8-pentahexadecyl-3,4-dihydrochromen-6-yl) dihydrogen phosphate Openeye Name: (2,2,4,7,8-pentahexadecylchroman-6-yl) dihydrogen phosphate CAS Name: (2,2,4,7,8-pentahexadecyl-3,4-dihydro-2H-1-benzopyran-6-yl) dihydrogen phosphate IUPAC Name: (2,2,4,7,8-pentahexadecyl-3,4-dihydrochromen-6-yl) dihydrogen phosphate Traditional Name: (2,2,4,7,8-pentacetylchroman-6-yl) dihydrogen phosphate Formula: C89H171O5P MolecularWeight: 1352.280801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC2=C(C(=C(C=C12)OP(=O)(O)O)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC2=C(C(=C(C=C12)OP(=O)(O)O)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H171O5P/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-83-82-89(79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4,80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)93-88-85(78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)84(87(81-86(83)88)94-95(90,91)92)77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h81,83H,6-80,82H2,1-5H3,(H2,90,91,92)