[2-[1-(3-tert-butyl-5-octadecoxy-2-oxidanyl-phenyl)ethyl]-4-octadecoxy-phenyl] 3,3-dimethyl-2-methylidene-butanoate

Systemtic Name: [2-[1-(3-tert-butyl-5-octadecoxy-2-oxidanyl-phenyl)ethyl]-4-octadecoxy-phenyl] 3,3-dimethyl-2-methylidene-butanoate Openeye Name: [2-[1-(3-tert-butyl-2-hydroxy-5-octadecoxy-phenyl)ethyl]-4-octadecoxy-phenyl] 3,3-dimethyl-2-methylene-butanoate CAS Name: 3,3-dimethyl-2-methylenebutanoic acid [2-[1-(3-tert-butyl-2-hydroxy-5-octadecoxyphenyl)ethyl]-4-octadecoxyphenyl] ester IUPAC Name: [2-[1-(3-tert-butyl-2-hydroxy-5-octadecoxyphenyl)ethyl]-4-octadecoxyphenyl] 3,3-dimethyl-2-methylidenebutanoate Traditional Name: 2-tert-butylacrylic acid [2-[1-(3-tert-butyl-2-hydroxy-5-stearyloxy-phenyl)ethyl]-4-stearyloxy-phenyl] ester Formula: C61H104O5 MolecularWeight: 917.47546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OC(=O)C(=C)C(C)(C)C)C(C)C2=CC(=CC(=C2O)C(C)(C)C)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OC(=O)C(=C)C(C)(C)C)C(C)C2=CC(=CC(=C2O)C(C)(C)C)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C61H104O5/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-64-52-43-44-57(66-59(63)51(4)60(5,6)7)54(47-52)50(3)55-48-53(49-56(58(55)62)61(8,9)10)65-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h43-44,47-50,62H,4,11-42,45-46H2,1-3,5-10H3