3-(4-decoxyphenyl)carbonylbenzenecarbonitrile; ethanenitrile

Systemtic Name: 3-(4-decoxyphenyl)carbonylbenzenecarbonitrile; ethanenitrile Openeye Name: acetonitrile; 3-(4-decoxybenzoyl)benzonitrile CAS Name: acetonitrile; 3-[(4-decoxyphenyl)-oxomethyl]benzonitrile IUPAC Name: acetonitrile; 3-(4-decoxybenzoyl)benzonitrile Traditional Name: acetonitrile; 3-(4-decoxybenzoyl)benzonitrile Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C#N.CC#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C#N.CC#N

InChI

InChI=1S/C24H29NO2.C2H3N/c1-2-3-4-5-6-7-8-9-17-27-23-15-13-21(14-16-23)24(26)22-12-10-11-20(18-22)19-25;1-2-3/h10-16,18H,2-9,17H2,1H3;1H3