4-methylbenzenesulfonic acid; 1-methyl-4-nitro-benzene

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-4-nitro-benzene Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-4-nitro-benzene CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-4-nitrobenzene IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-4-nitrobenzene Traditional Name: 1-methyl-4-nitro-benzene; tosylic acid Formula: C14H15NO5S MolecularWeight: 309.3376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C7H8O3S/c1-6-2-4-7(5-3-6)8(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)