3-[(E)-4,6-bis(oxidanylidene)oct-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-4,6-bis(oxidanylidene)oct-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-4,6-dioxooct-1-enyl]benzonitrile CAS Name: 3-[(E)-4,6-dioxooct-1-enyl]benzonitrile IUPAC Name: 3-[(E)-4,6-dioxooct-1-enyl]benzonitrile Traditional Name: 3-[(E)-4,6-diketooct-1-enyl]benzonitrile Formula: C15H15NO2 MolecularWeight: 241.2851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2/c1-2-14(17)10-15(18)8-4-6-12-5-3-7-13(9-12)11-16/h3-7,9H,2,8,10H2,1H3/b6-4+