1-diethoxyphosphorylethyl 4-methylbenzenesulfonate

Systemtic Name: 1-diethoxyphosphorylethyl 4-methylbenzenesulfonate Openeye Name: 1-diethoxyphosphorylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-diethoxyphosphorylethyl ester IUPAC Name: 1-diethoxyphosphorylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-diethoxyphosphorylethyl ester Formula: C13H21O6PS MolecularWeight: 336.341001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)OS(=O)(=O)C1=CC=C(C=C1)C)OCC

Isomeric SMILES

CCOP(=O)(C(C)OS(=O)(=O)C1=CC=C(C=C1)C)OCC

InChI

InChI=1S/C13H21O6PS/c1-5-17-20(14,18-6-2)12(4)19-21(15,16)13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3