(2,2-dimethyl-7-phosphonooxy-heptan-3-yl) dihydrogen phosphate

Systemtic Name: (2,2-dimethyl-7-phosphonooxy-heptan-3-yl) dihydrogen phosphate Openeye Name: (1-tert-butyl-5-phosphonooxy-pentyl) dihydrogen phosphate CAS Name: (2,2-dimethyl-7-phosphonooxyheptan-3-yl) dihydrogen phosphate IUPAC Name: (2,2-dimethyl-7-phosphonooxyheptan-3-yl) dihydrogen phosphate Traditional Name: (1-tert-butyl-5-phosphonooxy-pentyl) dihydrogen phosphate Formula: C9H22O8P2 MolecularWeight: 320.213702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCCCOP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CC(C)(C)C(CCCCOP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C9H22O8P2/c1-9(2,3)8(17-19(13,14)15)6-4-5-7-16-18(10,11)12/h8H,4-7H2,1-3H3,(H2,10,11,12)(H2,13,14,15)