3-(3-ethynylphenyl)-4-phenyl-2H-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 3-(3-ethynylphenyl)-4-phenyl-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxylic acid CAS Name: 3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxylic acid IUPAC Name: 3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxylic acid Traditional Name: 3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxylic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(C=NN2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(C=NN2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H13N3O2/c1-2-13-7-6-10-15(11-13)20-17(16(21)22,12-18-19-20)14-8-4-3-5-9-14/h1,3-12,19H,(H,21,22)