(4-dodecylphenyl) [2-methyl-3-(4-methylsulfanylphenyl)-3-oxidanylidene-propyl] sulfite

Systemtic Name: (4-dodecylphenyl) [2-methyl-3-(4-methylsulfanylphenyl)-3-oxidanylidene-propyl] sulfite Openeye Name: (4-dodecylphenyl) [2-methyl-3-(4-methylsulfanylphenyl)-3-oxo-propyl] sulfite CAS Name: sulfurous acid (4-dodecylphenyl) [2-methyl-3-[4-(methylthio)phenyl]-3-oxopropyl] ester IUPAC Name: (4-dodecylphenyl) [2-methyl-3-(4-methylsulfanylphenyl)-3-oxopropyl] sulfite Traditional Name: sulfurous acid [3-keto-2-methyl-3-[4-(methylthio)phenyl]propyl] (4-laurylphenyl) ester Formula: C29H42O4S2 MolecularWeight: 518.77138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)OS(=O)OCC(C)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)OS(=O)OCC(C)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C29H42O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-25-15-19-27(20-16-25)33-35(31)32-23-24(2)29(30)26-17-21-28(34-3)22-18-26/h15-22,24H,4-14,23H2,1-3H3