4-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-tert-butyl-3-(4-tert-butylphenoxy)phenyl]ethynyl]benzoic acid Formula: C29H30O3 MolecularWeight: 426.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C29H30O3/c1-28(2,3)23-14-16-24(17-15-23)32-26-19-21(11-18-25(26)29(4,5)6)8-7-20-9-12-22(13-10-20)27(30)31/h9-19H,1-6H3,(H,30,31)