3-(4-decoxyphenyl)carbonylbenzenecarbonitrile; ethanoic acid

Systemtic Name: 3-(4-decoxyphenyl)carbonylbenzenecarbonitrile; ethanoic acid Openeye Name: acetic acid; 3-(4-decoxybenzoyl)benzonitrile CAS Name: acetic acid; 3-[(4-decoxyphenyl)-oxomethyl]benzonitrile IUPAC Name: acetic acid; 3-(4-decoxybenzoyl)benzonitrile Traditional Name: acetic acid; 3-(4-decoxybenzoyl)benzonitrile Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO2.C2H4O2/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)4/h10-16,18H,2-9,17H2,1H3;1H3,(H,3,4)