2-(1,3-benzodioxol-5-yl)ethanenitrile; platinum(2+); dichloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethanenitrile; platinum(2+); dichloride Openeye Name: 2-(1,3-benzodioxol-5-yl)acetonitrile; platinum(2+); dichloride CAS Name: 2-(1,3-benzodioxol-5-yl)acetonitrile; platinum(2+); dichloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile; platinum(2+); dichloride Traditional Name: 2-(1,3-benzodioxol-5-yl)acetonitrile; platinum(2+); dichloride Formula: C18H14Cl2N2O4Pt MolecularWeight: 588.29876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC#N.C1OC2=C(O1)C=C(C=C2)CC#N.[Cl-].[Cl-].[Pt+2]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC#N.C1OC2=C(O1)C=C(C=C2)CC#N.[Cl-].[Cl-].[Pt+2]

InChI

InChI=1S/2C9H7NO2.2ClH.Pt/c2*10-4-3-7-1-2-8-9(5-7)12-6-11-8;;;/h2*1-2,5H,3,6H2;2*1H;/q;;;;+2/p-2