2,4-diphosphono-2-propyl-pentanedioic acid; propan-1-amine

Systemtic Name: 2,4-diphosphono-2-propyl-pentanedioic acid; propan-1-amine Openeye Name: 2,4-diphosphono-2-propyl-pentanedioic acid; propan-1-amine CAS Name: 2,4-diphosphono-2-propylpentanedioic acid; 1-propanamine IUPAC Name: 2,4-diphosphono-2-propylpentanedioic acid; propan-1-amine Traditional Name: 2,4-diphosphono-2-propyl-glutaric acid; propylamine Formula: C11H25NO10P2 MolecularWeight: 393.264422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O.CCCN

Isomeric SMILES

CCCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O.CCCN

InChI

InChI=1S/C8H16O10P2.C3H9N/c1-2-3-8(7(11)12,20(16,17)18)4-5(6(9)10)19(13,14)15;1-2-3-4/h5H,2-4H2,1H3,(H,9,10)(H,11,12)(H2,13,14,15)(H2,16,17,18);2-4H2,1H3