3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; oxolan-2-ylmethyl carbonate

Systemtic Name: 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile; oxolan-2-ylmethyl carbonate Openeye Name: 3,5-dibromo-4-hydroxy-benzonitrile; tetrahydrofuran-2-ylmethyl carbonate CAS Name: 3,5-dibromo-4-hydroxybenzonitrile; 2-oxolanylmethyl carbonate IUPAC Name: 3,5-dibromo-4-hydroxybenzonitrile; oxolan-2-ylmethyl carbonate Traditional Name: 3,5-dibromo-4-hydroxy-benzonitrile; tetrahydrofurfuryl carbonate Formula: C13H12Br2NO5- MolecularWeight: 422.04608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)[O-].C1=C(C=C(C(=C1Br)O)Br)C#N

Isomeric SMILES

C1CC(OC1)COC(=O)[O-].C1=C(C=C(C(=C1Br)O)Br)C#N

InChI

InChI=1S/C7H3Br2NO.C6H10O4/c8-5-1-4(3-10)2-6(9)7(5)11;7-6(8)10-4-5-2-1-3-9-5/h1-2,11H;5H,1-4H2,(H,7,8)/p-1