1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl octadecanoate

Systemtic Name: 1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl octadecanoate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] octadecanoate CAS Name: octadecanoic acid 1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yl ester IUPAC Name: 1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yl octadecanoate Traditional Name: stearic acid [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] ester Formula: C51H86O4 MolecularWeight: 763.22614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C51H86O4/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-45(52)55-40(32-30-38-34-41(48(2,3)4)46(53)42(35-38)49(5,6)7)33-31-39-36-43(50(8,9)10)47(54)44(37-39)51(11,12)13/h34-37,40,53-54H,14-33H2,1-13H3