[1,4-bis(diphosphonomethylamino)-1,4,4-triphosphono-butyl]phosphonic acid

Systemtic Name: [1,4-bis(diphosphonomethylamino)-1,4,4-triphosphono-butyl]phosphonic acid Openeye Name: [1,4-bis(diphosphonomethylamino)-1,4,4-triphosphono-butyl]phosphonic acid CAS Name: [1,4-bis(diphosphonomethylamino)-1,4,4-triphosphonobutyl]phosphonic acid IUPAC Name: [1,4-bis(diphosphonomethylamino)-1,4,4-triphosphonobutyl]phosphonic acid Traditional Name: [1,4-bis(diphosphonomethylamino)-1,4,4-triphosphono-butyl]phosphonic acid Formula: C6H24N2O24P8 MolecularWeight: 756.043848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H24N2O24P8/c9-33(10,11)3(34(12,13)14)7-5(37(21,22)23,38(24,25)26)1-2-6(39(27,28)29,40(30,31)32)8-4(35(15,16)17)36(18,19)20/h3-4,7-8H,1-2H2,(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)