4-azaniumyl-5-methyl-2-propan-2-yl-benzenesulfonate

Systemtic Name: 4-azaniumyl-5-methyl-2-propan-2-yl-benzenesulfonate Openeye Name: 4-azaniumyl-2-isopropyl-5-methyl-benzenesulfonate CAS Name: 4-ammonio-5-methyl-2-propan-2-ylbenzenesulfonate IUPAC Name: 4-azaniumyl-5-methyl-2-propan-2-ylbenzenesulfonate Traditional Name: 4-ammonio-2-isopropyl-5-methyl-besylate Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)S(=O)(=O)[O-])C(C)C)[NH3+]

Isomeric SMILES

CC1=C(C=C(C(=C1)S(=O)(=O)[O-])C(C)C)[NH3+]

InChI

InChI=1S/C10H15NO3S/c1-6(2)8-5-9(11)7(3)4-10(8)15(12,13)14/h4-6H,11H2,1-3H3,(H,12,13,14)