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

Systemtic Name: (2,4-dimethylphenyl) 3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-benzoate Openeye Name: (2,4-dimethylphenyl) 3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzoate CAS Name: 4-hydroxy-3,5-bis(2-methylheptan-2-yl)benzoic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 4-hydroxy-3,5-bis(2-methylheptan-2-yl)benzoate Traditional Name: 3,5-bis(1,1-dimethylhexyl)-4-hydroxy-benzoic acid (2,4-dimethylphenyl) ester Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(=O)OC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C31H46O3/c1-9-11-13-17-30(5,6)25-20-24(29(33)34-27-16-15-22(3)19-23(27)4)21-26(28(25)32)31(7,8)18-14-12-10-2/h15-16,19-21,32H,9-14,17-18H2,1-8H3