(2,3,4,5,6-pentaphosphonooxycyclohexyl)methylphosphonic acid

Systemtic Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl)methylphosphonic acid Openeye Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl)methylphosphonic acid CAS Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl)methylphosphonic acid IUPAC Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl)methylphosphonic acid Traditional Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl)methylphosphonic acid Formula: C7H20O23P6 MolecularWeight: 658.062466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H20O23P6/c8-31(9,10)1-2-3(26-32(11,12)13)5(28-34(17,18)19)7(30-36(23,24)25)6(29-35(20,21)22)4(2)27-33(14,15)16/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)