2-[[4-[(2-phosphonosulfanylethylamino)methyl]cyclohexyl]methylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[[4-[(2-phosphonosulfanylethylamino)methyl]cyclohexyl]methylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[[4-[(2-phosphonosulfanylethylamino)methyl]cyclohexyl]methylamino]ethylsulfanylphosphonic acid CAS Name: [2-[[4-[[2-(phosphonothio)ethylamino]methyl]cyclohexyl]methylamino]ethylthio]phosphonic acid IUPAC Name: 2-[[4-[(2-phosphonosulfanylethylamino)methyl]cyclohexyl]methylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[[4-[[2-(phosphonothio)ethylamino]methyl]cyclohexyl]methylamino]ethylthio]phosphonic acid Formula: C12H28N2O6P2S2 MolecularWeight: 422.438042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCCSP(=O)(O)O)CNCCSP(=O)(O)O

Isomeric SMILES

C1CC(CCC1CNCCSP(=O)(O)O)CNCCSP(=O)(O)O

InChI

InChI=1S/C12H28N2O6P2S2/c15-21(16,17)23-7-5-13-9-11-1-2-12(4-3-11)10-14-6-8-24-22(18,19)20/h11-14H,1-10H2,(H2,15,16,17)(H2,18,19,20)