4-bis(oxidanyl)phosphanyloxy-2-[2-bis(oxidanyl)phosphanyloxy-2-phosphono-butyl]-6-methyl-4-phosphono-heptanedioic acid

Systemtic Name: 4-bis(oxidanyl)phosphanyloxy-2-[2-bis(oxidanyl)phosphanyloxy-2-phosphono-butyl]-6-methyl-4-phosphono-heptanedioic acid Openeye Name: 4-dihydroxyphosphanyloxy-2-(2-dihydroxyphosphanyloxy-2-phosphono-butyl)-6-methyl-4-phosphono-heptanedioic acid CAS Name: 4-dihydroxyphosphinooxy-2-(2-dihydroxyphosphinooxy-2-phosphonobutyl)-6-methyl-4-phosphonoheptanedioic acid IUPAC Name: 4-dihydroxyphosphanyloxy-2-(2-dihydroxyphosphanyloxy-2-phosphonobutyl)-6-methyl-4-phosphonoheptanedioic acid Traditional Name: 4-dihydroxyphosphinooxy-2-(2-dihydroxyphosphinooxy-2-phosphono-butyl)-6-methyl-4-phosphono-pimelic acid Formula: C12H26O16P4 MolecularWeight: 550.220284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26O16P4/c1-3-11(27-29(17)18,31(21,22)23)5-8(10(15)16)6-12(28-30(19)20,32(24,25)26)4-7(2)9(13)14/h7-8,17-20H,3-6H2,1-2H3,(H,13,14)(H,15,16)(H2,21,22,23)(H2,24,25,26)