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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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