2-phosphonoheptan-2-ylphosphonic acid

Systemtic Name: 2-phosphonoheptan-2-ylphosphonic acid Openeye Name: (1-methyl-1-phosphono-hexyl)phosphonic acid CAS Name: 2-phosphonoheptan-2-ylphosphonic acid IUPAC Name: 2-phosphonoheptan-2-ylphosphonic acid Traditional Name: (1-methyl-1-phosphono-hexyl)phosphonic acid Formula: C7H18O6P2 MolecularWeight: 260.161742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCC(C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H18O6P2/c1-3-4-5-6-7(2,14(8,9)10)15(11,12)13/h3-6H2,1-2H3,(H2,8,9,10)(H2,11,12,13)