2-(10-bromanyldecyl)-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one

Systemtic Name: 2-(10-bromanyldecyl)-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one Openeye Name: 2-(10-bromodecyl)-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one CAS Name: 2-(10-bromodecyl)-3-hydroxy-3-(2-phenylethynyl)-1-isoindolone IUPAC Name: 2-(10-bromodecyl)-3-hydroxy-3-(2-phenylethynyl)isoindol-1-one Traditional Name: 2-(10-bromodecyl)-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one Formula: C26H30BrNO2 MolecularWeight: 468.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2CCCCCCCCCCBr)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2CCCCCCCCCCBr)O

InChI

InChI=1S/C26H30BrNO2/c27-20-12-5-3-1-2-4-6-13-21-28-25(29)23-16-10-11-17-24(23)26(28,30)19-18-22-14-8-7-9-15-22/h7-11,14-17,30H,1-6,12-13,20-21H2