[1-(1,1-diphosphonoethoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-(1,1-diphosphonoethoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(1,1-diphosphonoethoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(1,1-diphosphonoethoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(1,1-diphosphonoethoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(1,1-diphosphonoethoxy)-1-phosphono-ethyl]phosphonic acid Formula: C4H14O13P4 MolecularWeight: 394.041204

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(C)(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(OC(C)(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H14O13P4/c1-3(18(5,6)7,19(8,9)10)17-4(2,20(11,12)13)21(14,15)16/h1-2H3,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)