azepane; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: azepane; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: azepane; citric acid CAS Name: azepane; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: azepane; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: azepane; citric acid Formula: C12H21NO7 MolecularWeight: 291.29764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCCNCC1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C6H13N.C6H8O7/c1-2-4-6-7-5-3-1;7-3(8)1-6(13,5(11)12)2-4(9)10/h7H,1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)