potassium; dodecane; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate

Systemtic Name: potassium; dodecane; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Openeye Name: potassium; dodecane; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate CAS Name: potassium; dodecane; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate IUPAC Name: potassium; dodecane; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Traditional Name: potassium; dodecane; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Formula: C18H43KO24P6 MolecularWeight: 868.460486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+]

Isomeric SMILES

CCCCCCCCCCC[CH2-].C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+]

InChI

InChI=1S/C12H25.C6H18O24P6.K/c1-3-5-7-9-11-12-10-8-6-4-2;7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;/h1,3-12H2,2H3;1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q-1;;+1