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

Systemtic Name: [2,4-bis(oxidanyl)-3,5,6-triphosphonooxy-cyclohexyl]oxy-methyl-phosphinic acid Openeye Name: (2,4-dihydroxy-3,5,6-triphosphonooxy-cyclohexoxy)-methyl-phosphinic acid CAS Name: (2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl)oxy-methylphosphinic acid IUPAC Name: (2,4-dihydroxy-3,5,6-triphosphonooxycyclohexyl)oxy-methylphosphinic acid Traditional Name: (2,4-dihydroxy-3,5,6-triphosphonooxy-cyclohexoxy)-methyl-phosphinic acid Formula: C7H18O17P4 MolecularWeight: 498.102664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H18O17P4/c1-25(10,11)21-5-2(8)4(22-26(12,13)14)3(9)6(23-27(15,16)17)7(5)24-28(18,19)20/h2-9H,1H3,(H,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)