4-(5-butyl-1,2-dihydro-1,2,3-triazol-3-yl)benzoic acid

Systemtic Name: 4-(5-butyl-1,2-dihydro-1,2,3-triazol-3-yl)benzoic acid Openeye Name: 4-(5-butyl-1,2-dihydrotriazol-3-yl)benzoic acid CAS Name: 4-(5-butyl-1,2-dihydrotriazol-3-yl)benzoic acid IUPAC Name: 4-(5-butyl-1,2-dihydrotriazol-3-yl)benzoic acid Traditional Name: 4-(5-butyl-1,2-dihydrotriazol-3-yl)benzoic acid Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(NN1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=CN(NN1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H17N3O2/c1-2-3-4-11-9-16(15-14-11)12-7-5-10(6-8-12)13(17)18/h5-9,14-15H,2-4H2,1H3,(H,17,18)