cyclohexane-1,2-diamine; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate

Systemtic Name: cyclohexane-1,2-diamine; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Openeye Name: cyclohexane-1,2-diamine; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate CAS Name: cyclohexane-1,2-diamine; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate IUPAC Name: cyclohexane-1,2-diamine; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Traditional Name: (2-aminocyclohexyl)amine; (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate Formula: C30H74N8O24P6 MolecularWeight: 1116.790326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.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

Isomeric SMILES

C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.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

InChI

InChI=1S/4C6H14N2.C6H18O24P6/c4*7-5-3-1-2-4-6(5)8;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/h4*5-6H,1-4,7-8H2;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)