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

Systemtic Name: azepane; 1-phosphonopropane-1,2,3-tricarboxylic acid Openeye Name: azepane; 1-phosphonopropane-1,2,3-tricarboxylic acid CAS Name: azepane; 1-phosphonopropane-1,2,3-tricarboxylic acid IUPAC Name: azepane; 1-phosphonopropane-1,2,3-tricarboxylic acid Traditional Name: azepane; 1-phosphonopropane-1,2,3-tricarboxylic acid Formula: C12H22NO9P MolecularWeight: 355.278141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.C(C(C(C(=O)O)P(=O)(O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCNCC1.C(C(C(C(=O)O)P(=O)(O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C6H13N.C6H9O9P/c1-2-4-6-7-5-3-1;7-3(8)1-2(5(9)10)4(6(11)12)16(13,14)15/h7H,1-6H2;2,4H,1H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)