disodium 1-[(3-tert-butyl-4-methoxy-phenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: disodium 1-[(3-tert-butyl-4-methoxy-phenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: disodium 1-[(3-tert-butyl-4-methoxy-phenyl)methyl]triazole-4,5-dicarboxylate CAS Name: disodium 1-[(3-tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylate IUPAC Name: disodium 1-[(3-tert-butyl-4-methoxyphenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: disodium 1-(3-tert-butyl-4-methoxy-benzyl)triazole-4,5-dicarboxylate Formula: C16H17N3Na2O5 MolecularWeight: 377.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CN2C(=C(N=N2)C(=O)[O-])C(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CN2C(=C(N=N2)C(=O)[O-])C(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C16H19N3O5.2Na/c1-16(2,3)10-7-9(5-6-11(10)24-4)8-19-13(15(22)23)12(14(20)21)17-18-19;;/h5-7H,8H2,1-4H3,(H,20,21)(H,22,23);;/q;2*+1/p-2