4-[2,5-bis(oxidanylidene)hexyl]benzenecarbonitrile

Systemtic Name: 4-[2,5-bis(oxidanylidene)hexyl]benzenecarbonitrile Openeye Name: 4-(2,5-dioxohexyl)benzonitrile CAS Name: 4-(2,5-dioxohexyl)benzonitrile IUPAC Name: 4-(2,5-dioxohexyl)benzonitrile Traditional Name: 4-(2,5-diketohexyl)benzonitrile Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)CC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(=O)CCC(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H13NO2/c1-10(15)2-7-13(16)8-11-3-5-12(9-14)6-4-11/h3-6H,2,7-8H2,1H3