2-(2,2-diphosphonatobutyl)-6-methyl-4,4-diphosphonato-heptanedioate

Systemtic Name: 2-(2,2-diphosphonatobutyl)-6-methyl-4,4-diphosphonato-heptanedioate Openeye Name: 2-(2,2-diphosphonatobutyl)-6-methyl-4,4-diphosphonato-heptanedioate CAS Name: 2-(2,2-diphosphonatobutyl)-6-methyl-4,4-diphosphonatoheptanedioate IUPAC Name: 2-(2,2-diphosphonatobutyl)-6-methyl-4,4-diphosphonatoheptanedioate Traditional Name: 2-(2,2-diphosphonatobutyl)-6-methyl-4,4-diphosphonato-pimelate Formula: C12H16O16P4-10 MolecularWeight: 540.140884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC(C)C(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-])C(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC(CC(CC(C)C(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-])C(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

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