1,5,9-triphosphonononan-5-ylphosphonic acid

Systemtic Name: 1,5,9-triphosphonononan-5-ylphosphonic acid Openeye Name: [1,5-diphosphono-1-(4-phosphonobutyl)pentyl]phosphonic acid CAS Name: 1,5,9-triphosphonononan-5-ylphosphonic acid IUPAC Name: 1,5,9-triphosphonononan-5-ylphosphonic acid Traditional Name: [1,5-diphosphono-1-(4-phosphonobutyl)pentyl]phosphonic acid Formula: C9H24O12P4 MolecularWeight: 448.174704

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Descriptors Computed from Structure

Canonical SMILES:

C(CCP(=O)(O)O)CC(CCCCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCP(=O)(O)O)CC(CCCCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H24O12P4/c10-22(11,12)7-3-1-5-9(24(16,17)18,25(19,20)21)6-2-4-8-23(13,14)15/h1-8H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)