(3-methyl-1-oxidanyl-1,4,5-triphosphono-pentan-2-yl)phosphonic acid

Systemtic Name: (3-methyl-1-oxidanyl-1,4,5-triphosphono-pentan-2-yl)phosphonic acid Openeye Name: [4-hydroxy-2-methyl-3,4-diphosphono-1-(phosphonomethyl)butyl]phosphonic acid CAS Name: (1-hydroxy-3-methyl-1,4,5-triphosphonopentan-2-yl)phosphonic acid IUPAC Name: (1-hydroxy-3-methyl-1,4,5-triphosphonopentan-2-yl)phosphonic acid Traditional Name: [4-hydroxy-2-methyl-3,4-diphosphono-1-(phosphonomethyl)butyl]phosphonic acid Formula: C6H18O13P4 MolecularWeight: 422.094364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H18O13P4/c1-3(4(21(11,12)13)2-20(8,9)10)5(22(14,15)16)6(7)23(17,18)19/h3-7H,2H2,1H3,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)