2-butyl-2-[(4-methylphenyl)sulfonylmethyl]hexanal

Systemtic Name: 2-butyl-2-[(4-methylphenyl)sulfonylmethyl]hexanal Openeye Name: 2-butyl-2-(p-tolylsulfonylmethyl)hexanal CAS Name: 2-butyl-2-[(4-methylphenyl)sulfonylmethyl]hexanal IUPAC Name: 2-butyl-2-[(4-methylphenyl)sulfonylmethyl]hexanal Traditional Name: 2-butyl-2-(tosylmethyl)hexanal Formula: C18H28O3S MolecularWeight: 324.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CS(=O)(=O)C1=CC=C(C=C1)C)C=O

Isomeric SMILES

CCCCC(CCCC)(CS(=O)(=O)C1=CC=C(C=C1)C)C=O

InChI

InChI=1S/C18H28O3S/c1-4-6-12-18(14-19,13-7-5-2)15-22(20,21)17-10-8-16(3)9-11-17/h8-11,14H,4-7,12-13,15H2,1-3H3