(3,5-didodecylphenyl) 3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-benzoate

Systemtic Name: (3,5-didodecylphenyl) 3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-benzoate Openeye Name: (3,5-didodecylphenyl) 3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzoate CAS Name: 4-hydroxy-3,5-bis(2-methylheptan-2-yl)benzoic acid (3,5-didodecylphenyl) ester IUPAC Name: (3,5-didodecylphenyl) 4-hydroxy-3,5-bis(2-methylheptan-2-yl)benzoate Traditional Name: 3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzoic acid (3,5-dilaurylphenyl) ester Formula: C53H90O3 MolecularWeight: 775.2799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC(=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)CCCCC)O)C(C)(C)CCCCC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC(=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)CCCCC)O)C(C)(C)CCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C53H90O3/c1-9-13-17-19-21-23-25-27-29-31-35-44-39-45(36-32-30-28-26-24-22-20-18-14-10-2)41-47(40-44)56-51(55)46-42-48(52(5,6)37-33-15-11-3)50(54)49(43-46)53(7,8)38-34-16-12-4/h39-43,54H,9-38H2,1-8H3