1-phosphonooctan-2-ylphosphonic acid

Systemtic Name: 1-phosphonooctan-2-ylphosphonic acid Openeye Name: 1-(phosphonomethyl)heptylphosphonic acid CAS Name: 1-phosphonooctan-2-ylphosphonic acid IUPAC Name: 1-phosphonooctan-2-ylphosphonic acid Traditional Name: 1-(phosphonomethyl)heptylphosphonic acid Formula: C8H20O6P2 MolecularWeight: 274.188322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCC(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H20O6P2/c1-2-3-4-5-6-8(16(12,13)14)7-15(9,10)11/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)