cyclohexane-1,2-diamine; 2-phosphonoethylphosphonic acid

Systemtic Name: cyclohexane-1,2-diamine; 2-phosphonoethylphosphonic acid Openeye Name: cyclohexane-1,2-diamine; 2-phosphonoethylphosphonic acid CAS Name: cyclohexane-1,2-diamine; 2-phosphonoethylphosphonic acid IUPAC Name: cyclohexane-1,2-diamine; 2-phosphonoethylphosphonic acid Traditional Name: (2-aminocyclohexyl)amine; 2-phosphonoethylphosphonic acid Formula: C14H46N2O24P8 MolecularWeight: 874.304128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC(C(C1)N)N.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O.C(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H14N2.4C2H8O6P2/c7-5-3-1-2-4-6(5)8;4*3-9(4,5)1-2-10(6,7)8/h5-6H,1-4,7-8H2;4*1-2H2,(H2,3,4,5)(H2,6,7,8)