4-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]benzoic acid Formula: C25H24O3 MolecularWeight: 372.45626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C#CC5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C#CC5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C25H24O3/c26-23-8-5-17(2-1-16-3-6-21(7-4-16)24(27)28)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h3-8,12,18-20,26H,9-11,13-15H2,(H,27,28)