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4-(3-ethynylphenyl)carbonylbenzenecarbonitrile

4-(3-ethynylphenyl)carbonylbenzenecarbonitrile

Systemtic Name:4-(3-ethynylphenyl)carbonylbenzenecarbonitrile
Openeye Name:4-(3-ethynylbenzoyl)benzonitrile
CAS Name:4-[(3-ethynylphenyl)-oxomethyl]benzonitrile
IUPAC Name:4-(3-ethynylbenzoyl)benzonitrile
Traditional Name:4-(3-ethynylbenzoyl)benzonitrile
Formula: C16H9NO
MolecularWeight: 231.24876
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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C#N


Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C#N


InChI

InChI=1S/C16H9NO/c1-2-12-4-3-5-15(10-12)16(18)14-8-6-13(11-17)7-9-14/h1,3-10H


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