[2,6-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]cyclohexyl] octadecanoate

Systemtic Name: [2,6-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]cyclohexyl] octadecanoate Openeye Name: [2,6-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]cyclohexyl] octadecanoate CAS Name: octadecanoic acid [2,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]cyclohexyl] ester IUPAC Name: [2,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]cyclohexyl] octadecanoate Traditional Name: stearic acid [2,6-bis(3,5-ditert-butyl-4-hydroxy-benzyl)cyclohexyl] ester Formula: C54H90O4 MolecularWeight: 803.29

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(CCCC1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1C(CCCC1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C54H90O4/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-47(55)58-50-41(33-39-35-43(51(2,3)4)48(56)44(36-39)52(5,6)7)30-29-31-42(50)34-40-37-45(53(8,9)10)49(57)46(38-40)54(11,12)13/h35-38,41-42,50,56-57H,14-34H2,1-13H3