2-(6-bromanylhexyl)-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one

Systemtic Name: 2-(6-bromanylhexyl)-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one Openeye Name: 2-(6-bromohexyl)-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one CAS Name: 2-(6-bromohexyl)-3-hydroxy-3-(2-phenylethynyl)-1-isoindolone IUPAC Name: 2-(6-bromohexyl)-3-hydroxy-3-(2-phenylethynyl)isoindol-1-one Traditional Name: 2-(6-bromohexyl)-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2CCCCCCBr)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2CCCCCCBr)O

InChI

InChI=1S/C22H22BrNO2/c23-16-8-1-2-9-17-24-21(25)19-12-6-7-13-20(19)22(24,26)15-14-18-10-4-3-5-11-18/h3-7,10-13,26H,1-2,8-9,16-17H2