4-bis(oxidanidyl)phosphanyloxy-2-[2-bis(oxidanidyl)phosphanyloxy-2-phosphonato-butyl]-6-methyl-4-phosphonato-heptanedioate

Systemtic Name: 4-bis(oxidanidyl)phosphanyloxy-2-[2-bis(oxidanidyl)phosphanyloxy-2-phosphonato-butyl]-6-methyl-4-phosphonato-heptanedioate Openeye Name: 4-dioxidophosphanyloxy-2-(2-dioxidophosphanyloxy-2-phosphonato-butyl)-6-methyl-4-phosphonato-heptanedioate CAS Name: 4-dioxidophosphinooxy-2-(2-dioxidophosphinooxy-2-phosphonatobutyl)-6-methyl-4-phosphonatoheptanedioate IUPAC Name: 4-dioxidophosphanyloxy-2-(2-dioxidophosphanyloxy-2-phosphonatobutyl)-6-methyl-4-phosphonatoheptanedioate Traditional Name: 2-methyl-4-phosphito-6-(2-phosphito-2-phosphonato-butyl)-4-phosphonato-pimelate Formula: C12H16O16P4-10 MolecularWeight: 540.140884

Click to see the large picture

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/C12H22O16P4/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/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)(H2,21,22,23)(H2,24,25,26)/q-4/p-6