1,1'-biphenyl; 3-tert-butyl-5-octyl-4-oxidanyl-benzoate

Systemtic Name: 1,1'-biphenyl; 3-tert-butyl-5-octyl-4-oxidanyl-benzoate Openeye Name: biphenyl; 3-tert-butyl-4-hydroxy-5-octyl-benzoate CAS Name: 1,1'-biphenyl; 3-tert-butyl-4-hydroxy-5-octylbenzoate IUPAC Name: 1,1'-biphenyl; 3-tert-butyl-4-hydroxy-5-octylbenzoate Traditional Name: biphenyl; 3-tert-butyl-4-hydroxy-5-octyl-benzoate Formula: C31H39O3- MolecularWeight: 459.63956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC(=C1)C(=O)[O-])C(C)(C)C)O.C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=C(C(=CC(=C1)C(=O)[O-])C(C)(C)C)O.C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H30O3.C12H10/c1-5-6-7-8-9-10-11-14-12-15(18(21)22)13-16(17(14)20)19(2,3)4;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h12-13,20H,5-11H2,1-4H3,(H,21,22);1-10H/p-1