1,1-diphosphonododecan-2-ylphosphonic acid

Systemtic Name: 1,1-diphosphonododecan-2-ylphosphonic acid Openeye Name: 1,2-diphosphonododecylphosphonic acid CAS Name: 1,1-diphosphonododecan-2-ylphosphonic acid IUPAC Name: 1,1-diphosphonododecan-2-ylphosphonic acid Traditional Name: 1,2-diphosphonododecylphosphonic acid Formula: C12H29O9P3 MolecularWeight: 410.274543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCC(C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H29O9P3/c1-2-3-4-5-6-7-8-9-10-11(22(13,14)15)12(23(16,17)18)24(19,20)21/h11-12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)