cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonate

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-[4-(2-pyridyl)phenyl]phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[4-[4-(2-pyridinyl)phenyl]phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[4-[4-(2-pyridyl)phenyl]phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C31H40NO6PS MolecularWeight: 585.691161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)OC4CCCCC4)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)OC4CCCCC4)OCC

InChI

InChI=1S/C31H40NO6PS/c1-3-36-39(33,37-4-2)31(40(34,35)38-29-12-6-5-7-13-29)15-10-11-25-16-18-26(19-17-25)27-20-22-28(23-21-27)30-14-8-9-24-32-30/h8-9,14,16-24,29,31H,3-7,10-13,15H2,1-2H3