1-butyl-1,2,3-triazole; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-butyl-1,2,3-triazole; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-butyltriazole citrate CAS Name: 1-butyltriazole; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-butyltriazole; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-butyltriazole citrate Formula: C12H16N3O7-3 MolecularWeight: 314.27134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN=N1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCN1C=CN=N1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H11N3.C6H8O7/c1-2-3-5-9-6-4-7-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,6H,2-3,5H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3