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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[5-(4-fluoranylphenoxy)-2-methoxy-phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[5-(4-fluorophenoxy)-2-methoxy-phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[5-(4-fluorophenoxy)-2-methoxyphenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[5-(4-fluorophenoxy)-2-methoxyphenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[5-(4-fluorophenoxy)-2-methoxy-phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C27H38FO8PS MolecularWeight: 572.622984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38FO8PS/c1-4-33-37(29,34-5-2)27(38(30,31)36-24-11-7-6-8-12-24)13-9-10-21-20-25(18-19-26(21)32-3)35-23-16-14-22(28)15-17-23/h14-20,24,27H,4-13H2,1-3H3