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

Systemtic Name: 1-(2-dimethylaminoethylsulfanyl)-1-phosphono-ethanesulfonic acid Openeye Name: 1-(2-dimethylaminoethylsulfanyl)-1-phosphono-ethanesulfonic acid CAS Name: 1-(2-dimethylaminoethylthio)-1-phosphonoethanesulfonic acid IUPAC Name: 1-(2-dimethylaminoethylsulfanyl)-1-phosphonoethanesulfonic acid Traditional Name: 1-(2-dimethylaminoethylthio)-1-phosphono-ethanesulfonic acid Formula: C6H16NO6PS2 MolecularWeight: 293.298101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H16NO6PS2/c1-6(14(8,9)10,16(11,12)13)15-5-4-7(2)3/h4-5H2,1-3H3,(H2,8,9,10)(H,11,12,13)