2-(2,2-diphosphonobutyl)-6-methyl-4,4-diphosphono-heptanedioic acid

Systemtic Name: 2-(2,2-diphosphonobutyl)-6-methyl-4,4-diphosphono-heptanedioic acid Openeye Name: 2-(2,2-diphosphonobutyl)-6-methyl-4,4-diphosphono-heptanedioic acid CAS Name: 2-(2,2-diphosphonobutyl)-6-methyl-4,4-diphosphonoheptanedioic acid IUPAC Name: 2-(2,2-diphosphonobutyl)-6-methyl-4,4-diphosphonoheptanedioic acid Traditional Name: 2-(2,2-diphosphonobutyl)-6-methyl-4,4-diphosphono-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)(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)