4-azanyl-2-bromanyl-5-methyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-2-bromanyl-5-methyl-benzenesulfonic acid Openeye Name: 4-amino-2-bromo-5-methyl-benzenesulfonic acid CAS Name: 4-amino-2-bromo-5-methylbenzenesulfonic acid IUPAC Name: 4-amino-2-bromo-5-methylbenzenesulfonic acid Traditional Name: 4-amino-2-bromo-5-methyl-besylic acid Formula: C7H8BrNO3S MolecularWeight: 266.11232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)Br)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N)Br)S(=O)(=O)O

InChI

InChI=1S/C7H8BrNO3S/c1-4-2-7(13(10,11)12)5(8)3-6(4)9/h2-3H,9H2,1H3,(H,10,11,12)