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

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-(2-hydroxyethyl)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-4-(2-hydroxyethyl)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-(1-adamantyl)-4-(2-hydroxyethyl)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-4-(2-hydroxyethyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-4-(2-hydroxyethyl)phenyl]ethynyl]benzoic acid Formula: C27H28O3 MolecularWeight: 400.50942

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C27H28O3/c28-10-9-23-6-5-19(2-1-18-3-7-24(8-4-18)26(29)30)14-25(23)27-15-20-11-21(16-27)13-22(12-20)17-27/h3-8,14,20-22,28H,9-13,15-17H2,(H,29,30)