(3-methyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (3-methyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid Openeye Name: (1-hydroxy-3-methyl-1-phosphono-butyl)phosphonic acid CAS Name: (1-hydroxy-3-methyl-1-phosphonobutyl)phosphonic acid IUPAC Name: (1-hydroxy-3-methyl-1-phosphonobutyl)phosphonic acid Traditional Name: (1-hydroxy-3-methyl-1-phosphono-butyl)phosphonic acid Formula: C5H14O7P2 MolecularWeight: 248.107982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H14O7P2/c1-4(2)3-5(6,13(7,8)9)14(10,11)12/h4,6H,3H2,1-2H3,(H2,7,8,9)(H2,10,11,12)