cyclohexyl 4-[3-(1-benzofuran-5-yloxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate

Systemtic Name: cyclohexyl 4-[3-(1-benzofuran-5-yloxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate Openeye Name: cyclohexyl 4-[3-(benzofuran-5-yloxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonate CAS Name: 4-[3-(5-benzofuranyloxy)phenyl]-1-diethoxyphosphoryl-1-butanesulfonic acid IUPAC Name: cyclohexyl 4-[3-(1-benzofuran-5-yloxy)phenyl]-1-diethoxyphosphorylbutane-1-sulfonate Traditional Name: 4-[3-(benzofuran-5-yloxy)phenyl]-1-diethoxyphosphoryl-butane-1-sulfonic acid cyclohexyl ester Formula: C28H37O8PS MolecularWeight: 564.627341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC3=C(C=C2)OC=C3)S(=O)(=O)OC4CCCCC4)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC3=C(C=C2)OC=C3)S(=O)(=O)OC4CCCCC4)OCC

InChI

InChI=1S/C28H37O8PS/c1-3-33-37(29,34-4-2)28(38(30,31)36-24-12-6-5-7-13-24)15-9-11-22-10-8-14-25(20-22)35-26-16-17-27-23(21-26)18-19-32-27/h8,10,14,16-21,24,28H,3-7,9,11-13,15H2,1-2H3