1,1,6-triphosphonohexylphosphonic acid

Systemtic Name: 1,1,6-triphosphonohexylphosphonic acid Openeye Name: 1,1,6-triphosphonohexylphosphonic acid CAS Name: 1,1,6-triphosphonohexylphosphonic acid IUPAC Name: 1,1,6-triphosphonohexylphosphonic acid Traditional Name: 1,1,6-triphosphonohexylphosphonic acid Formula: C6H18O12P4 MolecularWeight: 406.094964

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)CCP(=O)(O)O

Isomeric SMILES

C(CCC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)CCP(=O)(O)O

InChI

InChI=1S/C6H18O12P4/c7-19(8,9)5-3-1-2-4-6(20(10,11)12,21(13,14)15)22(16,17)18/h1-5H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)