2-dodec-7-yn-6-ylisoindole-1,3-dione

Systemtic Name: 2-dodec-7-yn-6-ylisoindole-1,3-dione Openeye Name: 2-(1-pentylhept-2-ynyl)isoindoline-1,3-dione CAS Name: 2-dodec-7-yn-6-ylisoindole-1,3-dione IUPAC Name: 2-dodec-7-yn-6-ylisoindole-1,3-dione Traditional Name: 2-(1-amylhept-2-ynyl)isoindoline-1,3-quinone Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CCCCC)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCC(C#CCCCC)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C20H25NO2/c1-3-5-7-9-13-16(12-8-6-4-2)21-19(22)17-14-10-11-15-18(17)20(21)23/h10-11,14-16H,3-8,12H2,1-2H3