2-(2-dimethylaminoethylamino)-1-phosphono-ethanesulfonic acid

Systemtic Name: 2-(2-dimethylaminoethylamino)-1-phosphono-ethanesulfonic acid Openeye Name: 2-(2-dimethylaminoethylamino)-1-phosphono-ethanesulfonic acid CAS Name: 2-(2-dimethylaminoethylamino)-1-phosphonoethanesulfonic acid IUPAC Name: 2-(2-dimethylaminoethylamino)-1-phosphonoethanesulfonic acid Traditional Name: 2-(2-dimethylaminoethylamino)-1-phosphono-ethanesulfonic acid Formula: C6H17N2O6PS MolecularWeight: 276.247741

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CN(C)CCNCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C6H17N2O6PS/c1-8(2)4-3-7-5-6(15(9,10)11)16(12,13)14/h6-7H,3-5H2,1-2H3,(H2,9,10,11)(H,12,13,14)