4-[4-(1-oxidanylpropyl)-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 4-[4-(1-oxidanylpropyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(1-hydroxypropyl)triazol-1-yl]benzoic acid CAS Name: 4-[4-(1-hydroxypropyl)-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(1-hydroxypropyl)triazol-1-yl]benzoic acid Traditional Name: 4-[4-(1-hydroxypropyl)triazol-1-yl]benzoic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(N=N1)C2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCC(C1=CN(N=N1)C2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C12H13N3O3/c1-2-11(16)10-7-15(14-13-10)9-5-3-8(4-6-9)12(17)18/h3-7,11,16H,2H2,1H3,(H,17,18)