2-diethoxyphosphorylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-diethoxyphosphorylethyl 4-methylbenzenesulfonate Openeye Name: 2-diethoxyphosphorylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-diethoxyphosphorylethyl ester IUPAC Name: 2-diethoxyphosphorylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-diethoxyphosphorylethyl ester Formula: C13H21O6PS MolecularWeight: 336.341001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21O6PS/c1-4-17-20(14,18-5-2)11-10-19-21(15,16)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3