1,1,1-tris(benzotriazol-1-yl)butan-2-one

Systemtic Name: 1,1,1-tris(benzotriazol-1-yl)butan-2-one Openeye Name: 1,1,1-tris(benzotriazol-1-yl)butan-2-one CAS Name: 1,1,1-tris(1-benzotriazolyl)-2-butanone IUPAC Name: 1,1,1-tris(benzotriazol-1-yl)butan-2-one Traditional Name: 1,1,1-tris(benzotriazol-1-yl)butan-2-one Formula: C22H17N9O MolecularWeight: 423.43008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(N1C2=CC=CC=C2N=N1)(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CCC(=O)C(N1C2=CC=CC=C2N=N1)(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C22H17N9O/c1-2-21(32)22(29-18-12-6-3-9-15(18)23-26-29,30-19-13-7-4-10-16(19)24-27-30)31-20-14-8-5-11-17(20)25-28-31/h3-14H,2H2,1H3