4-(3-methylsulfonylphenyl)-3-(4-phenylmethoxybutoxy)benzaldehyde

Systemtic Name: 4-(3-methylsulfonylphenyl)-3-(4-phenylmethoxybutoxy)benzaldehyde Openeye Name: 3-(4-benzyloxybutoxy)-4-(3-methylsulfonylphenyl)benzaldehyde CAS Name: 4-(3-methylsulfonylphenyl)-3-(4-phenylmethoxybutoxy)benzaldehyde IUPAC Name: 4-(3-methylsulfonylphenyl)-3-(4-phenylmethoxybutoxy)benzaldehyde Traditional Name: 3-(4-benzoxybutoxy)-4-(3-mesylphenyl)benzaldehyde Formula: C25H26O5S MolecularWeight: 438.53594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)C=O)OCCCCOCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)C=O)OCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C25H26O5S/c1-31(27,28)23-11-7-10-22(17-23)24-13-12-21(18-26)16-25(24)30-15-6-5-14-29-19-20-8-3-2-4-9-20/h2-4,7-13,16-18H,5-6,14-15,19H2,1H3