2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]acetic acid Formula: C25H30O3 MolecularWeight: 378.5039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C#CC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C#CC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C25H30O3/c1-24(2,3)20-14-19(15-21(23(20)28-7)25(4,5)6)13-10-17-8-11-18(12-9-17)16-22(26)27/h8-9,11-12,14-15H,16H2,1-7H3,(H,26,27)