[2,2-bis(azanyl)-1,6,6-triphosphono-cyclohexyl]phosphonic acid

Systemtic Name: [2,2-bis(azanyl)-1,6,6-triphosphono-cyclohexyl]phosphonic acid Openeye Name: (2,2-diamino-1,6,6-triphosphono-cyclohexyl)phosphonic acid CAS Name: (2,2-diamino-1,6,6-triphosphonocyclohexyl)phosphonic acid IUPAC Name: (2,2-diamino-1,6,6-triphosphonocyclohexyl)phosphonic acid Traditional Name: (2,2-diamino-1,6,6-triphosphono-cyclohexyl)phosphonic acid Formula: C6H18N2O12P4 MolecularWeight: 434.108364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)(N)N

Isomeric SMILES

C1CC(C(C(C1)(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)(N)N

InChI

InChI=1S/C6H18N2O12P4/c7-4(8)2-1-3-5(21(9,10)11,22(12,13)14)6(4,23(15,16)17)24(18,19)20/h1-3,7-8H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)