4-(1-adamantyl)-2-ethynyl-benzoic acid

Systemtic Name: 4-(1-adamantyl)-2-ethynyl-benzoic acid Openeye Name: 4-(1-adamantyl)-2-ethynyl-benzoic acid CAS Name: 4-(1-adamantyl)-2-ethynylbenzoic acid IUPAC Name: 4-(1-adamantyl)-2-ethynylbenzoic acid Traditional Name: 4-(1-adamantyl)-2-ethynyl-benzoic acid Formula: C19H20O2 MolecularWeight: 280.3609

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

C#CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C19H20O2/c1-2-15-8-16(3-4-17(15)18(20)21)19-9-12-5-13(10-19)7-14(6-12)11-19/h1,3-4,8,12-14H,5-7,9-11H2,(H,20,21)