4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[2-(1-adamantyloxy)phenyl]ethynyl]benzoic acid Formula: C25H24O3 MolecularWeight: 372.45626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC4=CC=CC=C4C#CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC4=CC=CC=C4C#CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H24O3/c26-24(27)22-9-6-17(7-10-22)5-8-21-3-1-2-4-23(21)28-25-14-18-11-19(15-25)13-20(12-18)16-25/h1-4,6-7,9-10,18-20H,11-16H2,(H,26,27)