4-(2-dimethylaminoethylsulfanyl)-2-oxidanyl-2-phosphono-butanoic acid

Systemtic Name: 4-(2-dimethylaminoethylsulfanyl)-2-oxidanyl-2-phosphono-butanoic acid Openeye Name: 4-(2-dimethylaminoethylsulfanyl)-2-hydroxy-2-phosphono-butanoic acid CAS Name: 4-(2-dimethylaminoethylthio)-2-hydroxy-2-phosphonobutanoic acid IUPAC Name: 4-(2-dimethylaminoethylsulfanyl)-2-hydroxy-2-phosphonobutanoic acid Traditional Name: 4-(2-dimethylaminoethylthio)-2-hydroxy-2-phosphono-butyric acid Formula: C8H18NO6PS MolecularWeight: 287.270381

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCCC(C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

CN(C)CCSCCC(C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C8H18NO6PS/c1-9(2)4-6-17-5-3-8(12,7(10)11)16(13,14)15/h12H,3-6H2,1-2H3,(H,10,11)(H2,13,14,15)