(2-cyano-4,5-diethoxy-3-fluoranyl-phenyl)methyl methanesulfonate; methylbenzene

Systemtic Name: (2-cyano-4,5-diethoxy-3-fluoranyl-phenyl)methyl methanesulfonate; methylbenzene Openeye Name: (2-cyano-4,5-diethoxy-3-fluoro-phenyl)methyl methanesulfonate; toluene CAS Name: methanesulfonic acid (2-cyano-4,5-diethoxy-3-fluorophenyl)methyl ester; toluene IUPAC Name: (2-cyano-4,5-diethoxy-3-fluorophenyl)methyl methanesulfonate; toluene Traditional Name: methanesulfonic acid (2-cyano-4,5-diethoxy-3-fluoro-benzyl) ester; toluene Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)COS(=O)(=O)C)C#N)F)OCC.CC1=CC=CC=C1

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)COS(=O)(=O)C)C#N)F)OCC.CC1=CC=CC=C1

InChI

InChI=1S/C13H16FNO5S.C7H8/c1-4-18-11-6-9(8-20-21(3,16)17)10(7-15)12(14)13(11)19-5-2;1-7-5-3-2-4-6-7/h6H,4-5,8H2,1-3H3;2-6H,1H3