5-chloranyl-2H-benzotriazole; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 5-chloranyl-2H-benzotriazole; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 5-chloro-2H-benzotriazole; citric acid CAS Name: 5-chloro-2H-benzotriazole; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 5-chloro-2H-benzotriazole; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 5-chloro-2H-benzotriazole; citric acid Formula: C12H12ClN3O7 MolecularWeight: 345.69258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NNN=C2C=C1Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC2=NNN=C2C=C1Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C6H4ClN3.C6H8O7/c7-4-1-2-5-6(3-4)9-10-8-5;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3H,(H,8,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)