[2-phosphonoethyl-[2-[2-phosphonoethyl(phosphonomethyl)amino]cyclohexyl]amino]methylphosphonic acid

Systemtic Name: [2-phosphonoethyl-[2-[2-phosphonoethyl(phosphonomethyl)amino]cyclohexyl]amino]methylphosphonic acid Openeye Name: [2-phosphonoethyl-[2-[2-phosphonoethyl(phosphonomethyl)amino]cyclohexyl]amino]methylphosphonic acid CAS Name: [2-phosphonoethyl-[2-[2-phosphonoethyl(phosphonomethyl)amino]cyclohexyl]amino]methylphosphonic acid IUPAC Name: [2-phosphonoethyl-[2-[2-phosphonoethyl(phosphonomethyl)amino]cyclohexyl]amino]methylphosphonic acid Traditional Name: [2-phosphonoethyl-[2-[2-phosphonoethyl(phosphonomethyl)amino]cyclohexyl]amino]methylphosphonic acid Formula: C12H30N2O12P4 MolecularWeight: 518.267844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N(CCP(=O)(O)O)CP(=O)(O)O)N(CCP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CCC(C(C1)N(CCP(=O)(O)O)CP(=O)(O)O)N(CCP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C12H30N2O12P4/c15-27(16,17)7-5-13(9-29(21,22)23)11-3-1-2-4-12(11)14(10-30(24,25)26)6-8-28(18,19)20/h11-12H,1-10H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)