2-hexyl-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-hexyl-2,4-diphosphono-pentanedioic acid Openeye Name: 2-hexyl-2,4-diphosphono-pentanedioic acid CAS Name: 2-hexyl-2,4-diphosphonopentanedioic acid IUPAC Name: 2-hexyl-2,4-diphosphonopentanedioic acid Traditional Name: 2-hexyl-2,4-diphosphono-glutaric acid Formula: C11H22O10P2 MolecularWeight: 376.233902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C11H22O10P2/c1-2-3-4-5-6-11(10(14)15,23(19,20)21)7-8(9(12)13)22(16,17)18/h8H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)