6-[(3-chlorophenyl)-imidazol-1-yl-methyl]-1-phenylmethoxy-benzotriazole; ethanedioate

Systemtic Name: 6-[(3-chlorophenyl)-imidazol-1-yl-methyl]-1-phenylmethoxy-benzotriazole; ethanedioate Openeye Name: 1-benzyloxy-6-[(3-chlorophenyl)-imidazol-1-yl-methyl]benzotriazole; oxalate CAS Name: 6-[(3-chlorophenyl)-(1-imidazolyl)methyl]-1-phenylmethoxybenzotriazole; oxalate IUPAC Name: 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1-phenylmethoxybenzotriazole; oxalate Traditional Name: 1-benzoxy-6-[(3-chlorophenyl)-imidazol-1-yl-methyl]benzotriazole; oxalate Formula: C52H36Cl2N10O14-6 MolecularWeight: 1095.80684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON2C3=C(C=CC(=C3)C(C4=CC(=CC=C4)Cl)N5C=CN=C5)N=N2.C1=CC=C(C=C1)CON2C3=C(C=CC(=C3)C(C4=CC(=CC=C4)Cl)N5C=CN=C5)N=N2.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CON2C3=C(C=CC(=C3)C(C4=CC(=CC=C4)Cl)N5C=CN=C5)N=N2.C1=CC=C(C=C1)CON2C3=C(C=CC(=C3)C(C4=CC(=CC=C4)Cl)N5C=CN=C5)N=N2.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C23H18ClN5O.3C2H2O4/c2*24-20-8-4-7-18(13-20)23(28-12-11-25-16-28)19-9-10-21-22(14-19)29(27-26-21)30-15-17-5-2-1-3-6-17;3*3-1(4)2(5)6/h2*1-14,16,23H,15H2;3*(H,3,4)(H,5,6)/p-6