6,8-bis(bromanyl)-5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile hydrochloride

Systemtic Name: 6,8-bis(bromanyl)-5-oxidanyl-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile hydrochloride Openeye Name: 6,8-dibromo-5-hydroxy-3-phenyl-isochromane-1-carbonitrile hydrochloride CAS Name: 6,8-dibromo-5-hydroxy-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-carbonitrile hydrochloride IUPAC Name: 6,8-dibromo-5-hydroxy-3-phenyl-3,4-dihydro-1H-isochromene-1-carbonitrile hydrochloride Traditional Name: 6,8-dibromo-5-hydroxy-3-phenyl-isochroman-1-carbonitrile hydrochloride Formula: C16H12Br2ClNO2 MolecularWeight: 445.53298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C1C(=C(C=C2Br)Br)O)C#N)C3=CC=CC=C3.Cl

Isomeric SMILES

C1C(OC(C2=C1C(=C(C=C2Br)Br)O)C#N)C3=CC=CC=C3.Cl

InChI

InChI=1S/C16H11Br2NO2.ClH/c17-11-7-12(18)16(20)10-6-13(9-4-2-1-3-5-9)21-14(8-19)15(10)11;/h1-5,7,13-14,20H,6H2;1H