6-phosphonooxyhexan-3-yl dihydrogen phosphate

Systemtic Name: 6-phosphonooxyhexan-3-yl dihydrogen phosphate Openeye Name: (1-ethyl-4-phosphonooxy-butyl) dihydrogen phosphate CAS Name: 6-phosphonooxyhexan-3-yl dihydrogen phosphate IUPAC Name: 6-phosphonooxyhexan-3-yl dihydrogen phosphate Traditional Name: (1-ethyl-4-phosphonooxy-butyl) dihydrogen phosphate Formula: C6H16O8P2 MolecularWeight: 278.133962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCOP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCC(CCCOP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C6H16O8P2/c1-2-6(14-16(10,11)12)4-3-5-13-15(7,8)9/h6H,2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)