[1,6-bis(oxidanyl)-1,6,6-triphosphono-hexyl]phosphonic acid

Systemtic Name: [1,6-bis(oxidanyl)-1,6,6-triphosphono-hexyl]phosphonic acid Openeye Name: (1,6-dihydroxy-1,6,6-triphosphono-hexyl)phosphonic acid CAS Name: (1,6-dihydroxy-1,6,6-triphosphonohexyl)phosphonic acid IUPAC Name: (1,6-dihydroxy-1,6,6-triphosphonohexyl)phosphonic acid Traditional Name: (1,6-dihydroxy-1,6,6-triphosphono-hexyl)phosphonic acid Formula: C6H18O14P4 MolecularWeight: 438.093764

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H18O14P4/c7-5(21(9,10)11,22(12,13)14)3-1-2-4-6(8,23(15,16)17)24(18,19)20/h7-8H,1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)