1,4-bis(benzotriazol-1-yl)butan-2-one

Systemtic Name: 1,4-bis(benzotriazol-1-yl)butan-2-one Openeye Name: 1,4-bis(benzotriazol-1-yl)butan-2-one CAS Name: 1,4-bis(1-benzotriazolyl)-2-butanone IUPAC Name: 1,4-bis(benzotriazol-1-yl)butan-2-one Traditional Name: 1,4-bis(benzotriazol-1-yl)butan-2-one Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N6O/c23-12(11-22-16-8-4-2-6-14(16)18-20-22)9-10-21-15-7-3-1-5-13(15)17-19-21/h1-8H,9-11H2