chloranylcopper; tris[1-(phenylmethyl)-1,2,3-triazol-4-yl]methanol

Systemtic Name: chloranylcopper; tris[1-(phenylmethyl)-1,2,3-triazol-4-yl]methanol Openeye Name: chlorocopper; tris(1-benzyltriazol-4-yl)methanol CAS Name: chlorocopper; tris[1-(phenylmethyl)-4-triazolyl]methanol IUPAC Name: chlorocopper; tris(1-benzyltriazol-4-yl)methanol Traditional Name: chlorocopper; tris(1-benzyltriazol-4-yl)methanol Formula: C28H25ClCuN9O MolecularWeight: 602.5568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=N2)C(C3=CN(N=N3)CC4=CC=CC=C4)(C5=CN(N=N5)CC6=CC=CC=C6)O.Cl[Cu]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)C(C3=CN(N=N3)CC4=CC=CC=C4)(C5=CN(N=N5)CC6=CC=CC=C6)O.Cl[Cu]

InChI

InChI=1S/C28H25N9O.ClH.Cu/c38-28(25-19-35(32-29-25)16-22-10-4-1-5-11-22,26-20-36(33-30-26)17-23-12-6-2-7-13-23)27-21-37(34-31-27)18-24-14-8-3-9-15-24;;/h1-15,19-21,38H,16-18H2;1H;/q;;+1/p-1