[2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate

Systemtic Name: [2-(hydroxymethyl)-3,5-bis(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate Openeye Name: [2,4-dihydroxy-5-(hydroxymethyl)-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate CAS Name: [2,4-dihydroxy-5-(hydroxymethyl)-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate IUPAC Name: [2,4-dihydroxy-5-(hydroxymethyl)-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate Traditional Name: (2,4-dihydroxy-5-methylol-3,6-diphosphonooxy-cyclohexyl) dihydrogen phosphate Formula: C7H17O15P3 MolecularWeight: 434.122163

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)O

Isomeric SMILES

C(C1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O)O

InChI

InChI=1S/C7H17O15P3/c8-1-2-3(9)6(21-24(14,15)16)4(10)7(22-25(17,18)19)5(2)20-23(11,12)13/h2-10H,1H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)