cyclohexyl 1-diethoxyphosphoryl-4-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[2-fluoro-5-(4-fluorophenoxy)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[2-fluoro-5-(4-fluorophenoxy)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[2-fluoro-5-(4-fluorophenoxy)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C26H35F2O7PS MolecularWeight: 560.587467

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)F)F)S(=O)(=O)OC3CCCCC3)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)F)F)S(=O)(=O)OC3CCCCC3)OCC

InChI

InChI=1S/C26H35F2O7PS/c1-3-32-36(29,33-4-2)26(37(30,31)35-23-10-6-5-7-11-23)12-8-9-20-19-24(17-18-25(20)28)34-22-15-13-21(27)14-16-22/h13-19,23,26H,3-12H2,1-2H3