cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-fluoranylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-fluoranylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-fluorophenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-(2-fluorophenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-(2-fluorophenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-fluorophenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C26H36FO7PS MolecularWeight: 542.597004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2F)S(=O)(=O)OC3CCCCC3)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2F)S(=O)(=O)OC3CCCCC3)OCC

InChI

InChI=1S/C26H36FO7PS/c1-3-31-35(28,32-4-2)26(36(29,30)34-22-14-6-5-7-15-22)19-11-13-21-12-10-16-23(20-21)33-25-18-9-8-17-24(25)27/h8-10,12,16-18,20,22,26H,3-7,11,13-15,19H2,1-2H3