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

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-methylphenyl)phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(p-tolyl)phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[4-(4-methylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[4-(4-methylphenyl)phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[4-(p-tolyl)phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C27H39O6PS MolecularWeight: 522.633721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39O6PS/c1-4-31-34(28,32-5-2)27(35(29,30)33-26-11-7-6-8-12-26)13-9-10-23-16-20-25(21-17-23)24-18-14-22(3)15-19-24/h14-21,26-27H,4-13H2,1-3H3