3-[bis(dimethylphosphoryl)methylsulfanyl]-4-methoxy-benzenecarbonitrile

Systemtic Name: 3-[bis(dimethylphosphoryl)methylsulfanyl]-4-methoxy-benzenecarbonitrile Openeye Name: 3-[bis(dimethylphosphoryl)methylsulfanyl]-4-methoxy-benzonitrile CAS Name: 3-[bis(dimethylphosphoryl)methylthio]-4-methoxybenzonitrile IUPAC Name: 3-[bis(dimethylphosphoryl)methylsulfanyl]-4-methoxybenzonitrile Traditional Name: 3-[bis(dimethylphosphoryl)methylthio]-4-methoxy-benzonitrile Formula: C13H19NO3P2S MolecularWeight: 331.307382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)SC(P(=O)(C)C)P(=O)(C)C

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)SC(P(=O)(C)C)P(=O)(C)C

InChI

InChI=1S/C13H19NO3P2S/c1-17-11-7-6-10(9-14)8-12(11)20-13(18(2,3)15)19(4,5)16/h6-8,13H,1-5H3