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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NCCN(C)C)(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC(NCCN(C)C)(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C6H17N2O6PS/c1-6(15(9,10)11,16(12,13)14)7-4-5-8(2)3/h7H,4-5H2,1-3H3,(H2,9,10,11)(H,12,13,14)