(1-methoxy-3,4-dimethyl-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methoxy-3,4-dimethyl-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate Openeye Name: (1-methoxy-3,4-dimethyl-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methoxy-3,4-dimethyl-6-phenyl-2,5-dihydrophosphorin-6-yl) ester IUPAC Name: (1-methoxy-3,4-dimethyl-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methoxy-3,4-dimethyl-6-phenyl-2,5-dihydrophosphorin-6-yl) ester Formula: C21H25O4PS MolecularWeight: 404.459561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CP(C(C1)(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)C

Isomeric SMILES

CC1=C(CP(C(C1)(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)C

InChI

InChI=1S/C21H25O4PS/c1-16-10-12-20(13-11-16)27(22,23)25-21(19-8-6-5-7-9-19)14-17(2)18(3)15-26(21)24-4/h5-13H,14-15H2,1-4H3