3,5-bis(dimethoxyphosphorylmethyl)benzenecarbonitrile

Systemtic Name: 3,5-bis(dimethoxyphosphorylmethyl)benzenecarbonitrile Openeye Name: 3,5-bis(dimethoxyphosphorylmethyl)benzonitrile CAS Name: 3,5-bis(dimethoxyphosphorylmethyl)benzonitrile IUPAC Name: 3,5-bis(dimethoxyphosphorylmethyl)benzonitrile Traditional Name: 3,5-bis(dimethoxyphosphorylmethyl)benzonitrile Formula: C13H19NO6P2 MolecularWeight: 347.240582

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC1=CC(=CC(=C1)C#N)CP(=O)(OC)OC)OC

Isomeric SMILES

COP(=O)(CC1=CC(=CC(=C1)C#N)CP(=O)(OC)OC)OC

InChI

InChI=1S/C13H19NO6P2/c1-17-21(15,18-2)9-12-5-11(8-14)6-13(7-12)10-22(16,19-3)20-4/h5-7H,9-10H2,1-4H3