2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)benzoate

Systemtic Name: 2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)benzoate Openeye Name: 2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid 2-(4-hydroxyphenyl)ethynyl ester IUPAC Name: 2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid 2-(4-hydroxyphenyl)ethynyl ester Formula: C25H24O3 MolecularWeight: 372.45626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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