1,1,1-triphosphonopropan-2-ylphosphonic acid

Systemtic Name: 1,1,1-triphosphonopropan-2-ylphosphonic acid Openeye Name: (1-methyl-2,2,2-triphosphono-ethyl)phosphonic acid CAS Name: 1,1,1-triphosphonopropan-2-ylphosphonic acid IUPAC Name: 1,1,1-triphosphonopropan-2-ylphosphonic acid Traditional Name: (1-methyl-2,2,2-triphosphono-ethyl)phosphonic acid Formula: C3H12O12P4 MolecularWeight: 364.015224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H12O12P4/c1-2(16(4,5)6)3(17(7,8)9,18(10,11)12)19(13,14)15/h2H,1H3,(H2,4,5,6)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)