3-oxidanylhectanoate

Systemtic Name: 3-oxidanylhectanoate Openeye Name: 3-hydroxyhectanoate CAS Name: 3-hydroxyhectanoate IUPAC Name: 3-hydroxyhectanoate Traditional Name: 3-hydroxyhectanoate Formula: C100H199O3- MolecularWeight: 1449.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)[O-])O

InChI

InChI=1S/C100H200O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86-87-88-89-90-91-92-93-94-95-96-97-99(101)98-100(102)103/h99,101H,2-98H2,1H3,(H,102,103)/p-1