5-(9,10-dioctylicosan-9-yloxy)-3-(9,10-dioctylicosan-9-yloxycarbonyl)-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(9,10-dioctylicosan-9-yloxy)-3-(9,10-dioctylicosan-9-yloxycarbonyl)-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-hydroxy-5-oxo-5-(1,1,2-trioctyldodecoxy)-3-(1,1,2-trioctyldodecoxycarbonyl)pentanoic acid CAS Name: 5-(9,10-dioctyleicosan-9-yloxy)-3-[9,10-dioctyleicosan-9-yloxy(oxo)methyl]-3-hydroxy-5-oxopentanoic acid IUPAC Name: 5-(9,10-dioctylicosan-9-yloxy)-3-(9,10-dioctylicosan-9-yloxycarbonyl)-3-hydroxy-5-oxopentanoic acid Traditional Name: 3-hydroxy-5-keto-5-(1,1,2-trioctyldodecoxy)-3-(1,1,2-trioctyldodecoxycarbonyl)valeric acid Formula: C78H152O7 MolecularWeight: 1202.03728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)OC(=O)CC(CC(=O)O)(C(=O)OC(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)CCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)OC(=O)CC(CC(=O)O)(C(=O)OC(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)CCCCCCCCCC)O

InChI

InChI=1S/C78H152O7/c1-9-17-25-33-41-43-47-55-62-71(61-53-45-35-27-19-11-3)77(65-57-49-37-29-21-13-5,66-58-50-38-30-22-14-6)84-74(81)70-76(83,69-73(79)80)75(82)85-78(67-59-51-39-31-23-15-7,68-60-52-40-32-24-16-8)72(63-54-46-36-28-20-12-4)64-56-48-44-42-34-26-18-10-2/h71-72,83H,9-70H2,1-8H3,(H,79,80)