[2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl]oxy-ethyl-phosphinic acid

Systemtic Name: [2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl]oxy-ethyl-phosphinic acid Openeye Name: (2,4-dihydroxy-3,5,6-triphosphonooxy-cyclohexoxy)-ethyl-phosphinic acid CAS Name: (2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl)oxy-ethylphosphinic acid IUPAC Name: (2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl)oxy-ethylphosphinic acid Traditional Name: (2,4-dihydroxy-3,5,6-triphosphonooxy-cyclohexoxy)-ethyl-phosphinic acid Formula: C8H20O17P4 MolecularWeight: 512.129244

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O

Isomeric SMILES

CCP(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O

InChI

InChI=1S/C8H20O17P4/c1-2-26(11,12)22-6-3(9)5(23-27(13,14)15)4(10)7(24-28(16,17)18)8(6)25-29(19,20)21/h3-10H,2H2,1H3,(H,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)