[4-(2,2-dicyanoethenyl)phenyl]methylphosphonic acid; methanol

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl]methylphosphonic acid; methanol Openeye Name: [4-(2,2-dicyanovinyl)phenyl]methylphosphonic acid; methanol CAS Name: [4-(2,2-dicyanoethenyl)phenyl]methylphosphonic acid; methanol IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl]methylphosphonic acid; methanol Traditional Name: [4-(2,2-dicyanovinyl)benzyl]phosphonic acid; methanol Formula: C12H13N2O4P MolecularWeight: 280.216381

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC(=CC=C1CP(=O)(O)O)C=C(C#N)C#N

Isomeric SMILES

CO.C1=CC(=CC=C1CP(=O)(O)O)C=C(C#N)C#N

InChI

InChI=1S/C11H9N2O3P.CH4O/c12-6-11(7-13)5-9-1-3-10(4-2-9)8-17(14,15)16;1-2/h1-5H,8H2,(H2,14,15,16);2H,1H3