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

Systemtic Name: (3,4-dimethyl-1-phenoxy-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate Openeye Name: (3,4-dimethyl-1-phenoxy-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,4-dimethyl-1-phenoxy-6-phenyl-2,5-dihydrophosphorin-6-yl) ester IUPAC Name: (3,4-dimethyl-1-phenoxy-6-phenyl-2,5-dihydrophosphinin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,4-dimethyl-1-phenoxy-6-phenyl-2,5-dihydrophosphorin-6-yl) ester Formula: C26H27O4PS MolecularWeight: 466.528941

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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)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(CP(C(C1)(C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H27O4PS/c1-20-14-16-25(17-15-20)32(27,28)30-26(23-10-6-4-7-11-23)18-21(2)22(3)19-31(26)29-24-12-8-5-9-13-24/h4-17H,18-19H2,1-3H3