3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonic acid Openeye Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonic acid CAS Name: 3-[4-(6-phenylhexoxy)phenyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonic acid Traditional Name: 3-[4-(6-phenylhexoxy)phenyl]propane-1-sulfonic acid Formula: C21H28O4S MolecularWeight: 376.50962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCOC2=CC=C(C=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCOC2=CC=C(C=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C21H28O4S/c22-26(23,24)18-8-12-20-13-15-21(16-14-20)25-17-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,10-11,13-16H,1-2,4,7-9,12,17-18H2,(H,22,23,24)