2-[6-(3-chlorophenyl)hex-1-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[6-(3-chlorophenyl)hex-1-ynyl]isoindole-1,3-dione Openeye Name: 2-[6-(3-chlorophenyl)hex-1-ynyl]isoindoline-1,3-dione CAS Name: 2-[6-(3-chlorophenyl)hex-1-ynyl]isoindole-1,3-dione IUPAC Name: 2-[6-(3-chlorophenyl)hex-1-ynyl]isoindole-1,3-dione Traditional Name: 2-[6-(3-chlorophenyl)hex-1-ynyl]isoindoline-1,3-quinone Formula: C20H16ClNO2 MolecularWeight: 337.79954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C#CCCCCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C#CCCCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H16ClNO2/c21-16-10-7-9-15(14-16)8-3-1-2-6-13-22-19(23)17-11-4-5-12-18(17)20(22)24/h4-5,7,9-12,14H,1-3,8H2