2-(2-azaniumyl-3-methyl-butoxy)carbonylbenzenesulfonate

Systemtic Name: 2-(2-azaniumyl-3-methyl-butoxy)carbonylbenzenesulfonate Openeye Name: 2-(2-azaniumyl-3-methyl-butoxy)carbonylbenzenesulfonate CAS Name: 2-[(2-ammonio-3-methylbutoxy)-oxomethyl]benzenesulfonate IUPAC Name: 2-(2-azaniumyl-3-methylbutoxy)carbonylbenzenesulfonate Traditional Name: 2-(2-ammonio-3-methyl-butoxy)carbonylbesylate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(=O)C1=CC=CC=C1S(=O)(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C(COC(=O)C1=CC=CC=C1S(=O)(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO5S/c1-8(2)10(13)7-18-12(14)9-5-3-4-6-11(9)19(15,16)17/h3-6,8,10H,7,13H2,1-2H3,(H,15,16,17)