2,2-dimethyl-3H-1-benzofuran-4-carbonitrile; methane; thiophosphate

Systemtic Name: 2,2-dimethyl-3H-1-benzofuran-4-carbonitrile; methane; thiophosphate Openeye Name: 2,2-dimethyl-3H-benzofuran-4-carbonitrile; methane; thiophosphate CAS Name: 2,2-dimethyl-3H-benzofuran-4-carbonitrile; methane; thiophosphate IUPAC Name: 2,2-dimethyl-3H-1-benzofuran-4-carbonitrile; methane; thiophosphate Traditional Name: 2,2-dimethylcoumaran-4-carbonitrile; methane; thiophosphate Formula: C12H15NO4PS-3 MolecularWeight: 300.290561

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1(CC2=C(C=CC=C2O1)C#N)C.[O-]P(=S)([O-])[O-]

Isomeric SMILES

C.CC1(CC2=C(C=CC=C2O1)C#N)C.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C11H11NO.CH4.H3O3PS/c1-11(2)6-9-8(7-12)4-3-5-10(9)13-11;;1-4(2,3)5/h3-5H,6H2,1-2H3;1H4;(H3,1,2,3,5)/p-3