2,4,6-trimethyl-3-(4-methylphenyl)sulfonyl-benzenesulfinic acid

Systemtic Name: 2,4,6-trimethyl-3-(4-methylphenyl)sulfonyl-benzenesulfinic acid Openeye Name: 2,4,6-trimethyl-3-(p-tolylsulfonyl)benzenesulfinic acid CAS Name: 2,4,6-trimethyl-3-(4-methylphenyl)sulfonylbenzenesulfinic acid IUPAC Name: 2,4,6-trimethyl-3-(4-methylphenyl)sulfonylbenzenesulfinic acid Traditional Name: 2,4,6-trimethyl-3-tosyl-benzenesulfinic acid Formula: C16H18O4S2 MolecularWeight: 338.44172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2C)S(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2C)S(=O)O)C)C

InChI

InChI=1S/C16H18O4S2/c1-10-5-7-14(8-6-10)22(19,20)16-12(3)9-11(2)15(13(16)4)21(17)18/h5-9H,1-4H3,(H,17,18)