[2,2-bis(diphosphonomethyl)-1,7,7-triphosphono-heptyl]phosphonic acid

Systemtic Name: [2,2-bis(diphosphonomethyl)-1,7,7-triphosphono-heptyl]phosphonic acid Openeye Name: [2,2-bis(diphosphonomethyl)-1,7,7-triphosphono-heptyl]phosphonic acid CAS Name: [2,2-bis(diphosphonomethyl)-1,7,7-triphosphonoheptyl]phosphonic acid IUPAC Name: [2,2-bis(diphosphonomethyl)-1,7,7-triphosphonoheptyl]phosphonic acid Traditional Name: [2,2-bis(diphosphonomethyl)-1,7,7-triphosphono-heptyl]phosphonic acid Formula: C9H28O24P8 MolecularWeight: 768.094308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H28O24P8/c10-34(11,12)5(35(13,14)15)3-1-2-4-9(6(36(16,17)18)37(19,20)21,7(38(22,23)24)39(25,26)27)8(40(28,29)30)41(31,32)33/h5-8H,1-4H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)