[2,2-bis(diphosphonomethyl)-1,6,6-triphosphono-hexyl]phosphonic acid

Systemtic Name: [2,2-bis(diphosphonomethyl)-1,6,6-triphosphono-hexyl]phosphonic acid Openeye Name: [2,2-bis(diphosphonomethyl)-1,6,6-triphosphono-hexyl]phosphonic acid CAS Name: [2,2-bis(diphosphonomethyl)-1,6,6-triphosphonohexyl]phosphonic acid IUPAC Name: [2,2-bis(diphosphonomethyl)-1,6,6-triphosphonohexyl]phosphonic acid Traditional Name: [2,2-bis(diphosphonomethyl)-1,6,6-triphosphono-hexyl]phosphonic acid Formula: C8H26O24P8 MolecularWeight: 754.067728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H26O24P8/c9-33(10,11)4(34(12,13)14)2-1-3-8(5(35(15,16)17)36(18,19)20,6(37(21,22)23)38(24,25)26)7(39(27,28)29)40(30,31)32/h4-7H,1-3H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)