2-(22-oxidanyl-22-oxidanylidene-docosyl)-3-(20-oxidanyl-20-oxidanylidene-icosyl)benzoic acid

Systemtic Name: 2-(22-oxidanyl-22-oxidanylidene-docosyl)-3-(20-oxidanyl-20-oxidanylidene-icosyl)benzoic acid Openeye Name: 2-(22-hydroxy-22-oxo-docosyl)-3-(20-hydroxy-20-oxo-icosyl)benzoic acid CAS Name: 2-(22-hydroxy-22-oxodocosyl)-3-(20-hydroxy-20-oxoeicosyl)benzoic acid IUPAC Name: 2-(22-hydroxy-22-oxodocosyl)-3-(20-hydroxy-20-oxoicosyl)benzoic acid Traditional Name: 2-(22-hydroxy-22-keto-docosyl)-3-(20-hydroxy-20-keto-eicosyl)benzoic acid Formula: C49H86O6 MolecularWeight: 771.20354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)CCCCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C49H86O6/c50-47(51)42-35-31-27-23-19-15-11-7-3-1-2-6-10-14-18-22-26-30-34-40-45-44(39-37-41-46(45)49(54)55)38-33-29-25-21-17-13-9-5-4-8-12-16-20-24-28-32-36-43-48(52)53/h37,39,41H,1-36,38,40,42-43H2,(H,50,51)(H,52,53)(H,54,55)