7-butyl-7-(4-methylphenyl)sulfonyl-bicyclo[4.2.0]octa-1,3,5-triene

Systemtic Name: 7-butyl-7-(4-methylphenyl)sulfonyl-bicyclo[4.2.0]octa-1,3,5-triene Openeye Name: 7-butyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene CAS Name: 7-butyl-7-(4-methylphenyl)sulfonylbicyclo[4.2.0]octa-1,3,5-triene IUPAC Name: 7-butyl-7-(4-methylphenyl)sulfonylbicyclo[4.2.0]octa-1,3,5-triene Traditional Name: 7-butyl-7-tosyl-bicyclo[4.2.0]octa-1,3,5-triene Formula: C19H22O2S MolecularWeight: 314.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H22O2S/c1-3-4-13-19(14-16-7-5-6-8-18(16)19)22(20,21)17-11-9-15(2)10-12-17/h5-12H,3-4,13-14H2,1-2H3