2-(bromomethyl)quinoxaline; (4-methylphenyl)sulfonylmethanoic acid

Systemtic Name: 2-(bromomethyl)quinoxaline; (4-methylphenyl)sulfonylmethanoic acid Openeye Name: 2-(bromomethyl)quinoxaline; p-tolylsulfonylformic acid CAS Name: 2-(bromomethyl)quinoxaline; (4-methylphenyl)sulfonylformic acid IUPAC Name: 2-(bromomethyl)quinoxaline; (4-methylphenyl)sulfonylformic acid Traditional Name: 2-(bromomethyl)quinoxaline; tosylformic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=O)O.C1=CC=C2C(=C1)N=CC(=N2)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=O)O.C1=CC=C2C(=C1)N=CC(=N2)CBr

InChI

InChI=1S/C9H7BrN2.C8H8O4S/c10-5-7-6-11-8-3-1-2-4-9(8)12-7;1-6-2-4-7(5-3-6)13(11,12)8(9)10/h1-4,6H,5H2;2-5H,1H3,(H,9,10)