[4-(diethoxyphosphorylmethoxy)-1-phenylmethoxy-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(diethoxyphosphorylmethoxy)-1-phenylmethoxy-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(benzyloxymethyl)-3-(diethoxyphosphorylmethoxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(diethoxyphosphorylmethoxy)-1-phenylmethoxybutan-2-yl] ester IUPAC Name: [4-(diethoxyphosphorylmethoxy)-1-phenylmethoxybutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(benzoxymethyl)-3-(diethoxyphosphorylmethoxy)propyl] ester Formula: C23H33O8PS MolecularWeight: 500.542081

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCCC(COCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOP(=O)(COCCC(COCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C23H33O8PS/c1-4-29-32(24,30-5-2)19-27-16-15-22(18-28-17-21-9-7-6-8-10-21)31-33(25,26)23-13-11-20(3)12-14-23/h6-14,22H,4-5,15-19H2,1-3H3