2-azaniumyl-2-methyl-4-(phosphonomethylsulfonyl)butanoate

Systemtic Name: 2-azaniumyl-2-methyl-4-(phosphonomethylsulfonyl)butanoate Openeye Name: 2-azaniumyl-2-methyl-4-(phosphonomethylsulfonyl)butanoate CAS Name: 2-ammonio-2-methyl-4-(phosphonomethylsulfonyl)butanoate IUPAC Name: 2-azaniumyl-2-methyl-4-(phosphonomethylsulfonyl)butanoate Traditional Name: 2-ammonio-2-methyl-4-(phosphonomethylsulfonyl)butyrate Formula: C6H14NO7PS MolecularWeight: 275.216621

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)CP(=O)(O)O)(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(CCS(=O)(=O)CP(=O)(O)O)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C6H14NO7PS/c1-6(7,5(8)9)2-3-16(13,14)4-15(10,11)12/h2-4,7H2,1H3,(H,8,9)(H2,10,11,12)