2-azanyl-3,5-dimethyl-benzenesulfonate

Systemtic Name: 2-azanyl-3,5-dimethyl-benzenesulfonate Openeye Name: 2-amino-3,5-dimethyl-benzenesulfonate CAS Name: 2-amino-3,5-dimethylbenzenesulfonate IUPAC Name: 2-amino-3,5-dimethylbenzenesulfonate Traditional Name: 2-amino-3,5-dimethyl-besylate Formula: C8H10NO3S- MolecularWeight: 200.2349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N)C

InChI

InChI=1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)/p-1