2-(1-fluoranylnonoxy)-4-heptadecyl-benzenesulfonic acid

Systemtic Name: 2-(1-fluoranylnonoxy)-4-heptadecyl-benzenesulfonic acid Openeye Name: 2-(1-fluorononoxy)-4-heptadecyl-benzenesulfonic acid CAS Name: 2-(1-fluorononoxy)-4-heptadecylbenzenesulfonic acid IUPAC Name: 2-(1-fluorononoxy)-4-heptadecylbenzenesulfonic acid Traditional Name: 2-(1-fluorononoxy)-4-heptadecyl-besylic acid Formula: C32H57FO4S MolecularWeight: 556.855983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)O)OC(CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)O)OC(CCCCCCCC)F

InChI

InChI=1S/C32H57FO4S/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-29-26-27-31(38(34,35)36)30(28-29)37-32(33)25-23-21-10-8-6-4-2/h26-28,32H,3-25H2,1-2H3,(H,34,35,36)