23-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-23-(22-oxidanyl-22-oxidanylidene-docosyl)pentatetracontanedioic acid

Systemtic Name: 23-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-23-(22-oxidanyl-22-oxidanylidene-docosyl)pentatetracontanedioic acid Openeye Name: 23-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-23-(22-hydroxy-22-oxo-docosyl)pentatetracontanedioic acid CAS Name: 23-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-23-(22-hydroxy-22-oxodocosyl)pentatetracontanedioic acid IUPAC Name: 23-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-23-(22-hydroxy-22-oxodocosyl)pentatetracontanedioic acid Traditional Name: 23-(3-hydroxy-2,2-dimethylol-propyl)-23-(22-hydroxy-22-keto-docosyl)pentatetracontanedioic acid Formula: C72H140O9 MolecularWeight: 1149.8766

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCCCCCCCC(=O)O)CC(CO)(CO)CO

Isomeric SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCCCCCCCC(=O)O)CC(CO)(CO)CO

InChI

InChI=1S/C72H140O9/c73-65-72(66-74,67-75)64-71(61-55-49-43-37-31-25-19-13-7-1-4-10-16-22-28-34-40-46-52-58-68(76)77,62-56-50-44-38-32-26-20-14-8-2-5-11-17-23-29-35-41-47-53-59-69(78)79)63-57-51-45-39-33-27-21-15-9-3-6-12-18-24-30-36-42-48-54-60-70(80)81/h73-75H,1-67H2,(H,76,77)(H,78,79)(H,80,81)