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

Systemtic Name: [3-methyl-2,4-bis(oxidanyl)-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate Openeye Name: (2,4-dihydroxy-3-methyl-5,6-diphosphonooxy-cyclohexyl) dihydrogen phosphate CAS Name: (2,4-dihydroxy-3-methyl-5,6-diphosphonooxycyclohexyl) dihydrogen phosphate IUPAC Name: (2,4-dihydroxy-3-methyl-5,6-diphosphonooxycyclohexyl) dihydrogen phosphate Traditional Name: (2,4-dihydroxy-3-methyl-5,6-diphosphonooxy-cyclohexyl) dihydrogen phosphate Formula: C7H17O14P3 MolecularWeight: 418.122763

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

CC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C7H17O14P3/c1-2-3(8)5(19-22(10,11)12)7(21-24(16,17)18)6(4(2)9)20-23(13,14)15/h2-9H,1H3,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)