2-azaniumyl-5-propan-2-yl-benzenesulfonate

Systemtic Name: 2-azaniumyl-5-propan-2-yl-benzenesulfonate Openeye Name: 2-azaniumyl-5-isopropyl-benzenesulfonate CAS Name: 2-ammonio-5-propan-2-ylbenzenesulfonate IUPAC Name: 2-azaniumyl-5-propan-2-ylbenzenesulfonate Traditional Name: 2-ammonio-5-isopropyl-besylate Formula: C9H13NO3S MolecularWeight: 215.26942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3S/c1-6(2)7-3-4-8(10)9(5-7)14(11,12)13/h3-6H,10H2,1-2H3,(H,11,12,13)