(4-methylphenyl) (2,4,4-trimethyl-6-methylsulfanyl-1-oxidanylidene-3H-naphthalen-2-yl) sulfite

Systemtic Name: (4-methylphenyl) (2,4,4-trimethyl-6-methylsulfanyl-1-oxidanylidene-3H-naphthalen-2-yl) sulfite Openeye Name: p-tolyl (2,4,4-trimethyl-6-methylsulfanyl-1-oxo-tetralin-2-yl) sulfite CAS Name: sulfurous acid (4-methylphenyl) [2,4,4-trimethyl-6-(methylthio)-1-oxo-3H-naphthalen-2-yl] ester IUPAC Name: (4-methylphenyl) (2,4,4-trimethyl-6-methylsulfanyl-1-oxo-3H-naphthalen-2-yl) sulfite Traditional Name: sulfurous acid [1-keto-2,4,4-trimethyl-6-(methylthio)tetralin-2-yl] p-tolyl ester Formula: C21H24O4S2 MolecularWeight: 404.54286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)OC2(CC(C3=C(C2=O)C=CC(=C3)SC)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)OC2(CC(C3=C(C2=O)C=CC(=C3)SC)(C)C)C

InChI

InChI=1S/C21H24O4S2/c1-14-6-8-15(9-7-14)24-27(23)25-21(4)13-20(2,3)18-12-16(26-5)10-11-17(18)19(21)22/h6-12H,13H2,1-5H3