2,2-bis(phosphonooxymethyl)butyl dihydrogen phosphate

Systemtic Name: 2,2-bis(phosphonooxymethyl)butyl dihydrogen phosphate Openeye Name: 2,2-bis(phosphonooxymethyl)butyl dihydrogen phosphate CAS Name: 2,2-bis(phosphonooxymethyl)butyl dihydrogen phosphate IUPAC Name: 2,2-bis(phosphonooxymethyl)butyl dihydrogen phosphate Traditional Name: 2,2-bis(phosphonooxymethyl)butyl dihydrogen phosphate Formula: C6H17O12P3 MolecularWeight: 374.113263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COP(=O)(O)O)(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CCC(COP(=O)(O)O)(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C6H17O12P3/c1-2-6(3-16-19(7,8)9,4-17-20(10,11)12)5-18-21(13,14)15/h2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)