2-ethyl-2-[[4-methoxy-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal

Systemtic Name: 2-ethyl-2-[[4-methoxy-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal Openeye Name: 2-[(2-benzyl-4-methoxy-phenyl)sulfonylmethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[[4-methoxy-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal IUPAC Name: 2-[(2-benzyl-4-methoxyphenyl)sulfonylmethyl]-2-ethylhexanal Traditional Name: 2-[(2-benzyl-4-methoxy-phenyl)sulfonylmethyl]-2-ethyl-hexanal Formula: C23H30O4S MolecularWeight: 402.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)OC)CC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)OC)CC2=CC=CC=C2)C=O

InChI

InChI=1S/C23H30O4S/c1-4-6-14-23(5-2,17-24)18-28(25,26)22-13-12-21(27-3)16-20(22)15-19-10-8-7-9-11-19/h7-13,16-17H,4-6,14-15,18H2,1-3H3