2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methoxycarbonyl]-2-octadecyl-icosanoic acid

Systemtic Name: 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methoxycarbonyl]-2-octadecyl-icosanoic acid Openeye Name: 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methoxycarbonyl]-2-octadecyl-icosanoic acid CAS Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methoxy-oxomethyl]-2-octadecyleicosanoic acid IUPAC Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methoxycarbonyl]-2-octadecylicosanoic acid Traditional Name: 2-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)oxycarbonyl-2-stearyl-arachidic acid Formula: C51H92O5 MolecularWeight: 785.27318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)O)C(=O)OCC1=CC(=C(C(=C1)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)O)C(=O)OCC1=CC(=C(C(=C1)C(C)(C)C)O)C

InChI

InChI=1S/C51H92O5/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51(48(53)54,49(55)56-43-45-41-44(3)47(52)46(42-45)50(4,5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42,52H,7-40,43H2,1-6H3,(H,53,54)