6-(benzotriazol-1-yl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(benzotriazol-1-yl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(benzotriazol-1-yl)-6-oxo-hexanoic acid CAS Name: 6-(1-benzotriazolyl)-6-oxohexanoic acid IUPAC Name: 6-(benzotriazol-1-yl)-6-oxohexanoic acid Traditional Name: 6-(benzotriazol-1-yl)-6-keto-hexanoic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)CCCCC(=O)O

InChI

InChI=1S/C12H13N3O3/c16-11(7-3-4-8-12(17)18)15-10-6-2-1-5-9(10)13-14-15/h1-2,5-6H,3-4,7-8H2,(H,17,18)