4-(4-decoxyphenyl)benzenecarbonitrile; 4-(4-decylphenyl)benzenecarbonitrile; 4-(4-octylphenyl)benzenecarbonitrile

Systemtic Name: 4-(4-decoxyphenyl)benzenecarbonitrile; 4-(4-decylphenyl)benzenecarbonitrile; 4-(4-octylphenyl)benzenecarbonitrile Openeye Name: 4-(4-decoxyphenyl)benzonitrile; 4-(4-decylphenyl)benzonitrile; 4-(4-octylphenyl)benzonitrile CAS Name: 4-(4-decoxyphenyl)benzonitrile; 4-(4-decylphenyl)benzonitrile; 4-(4-octylphenyl)benzonitrile IUPAC Name: 4-(4-decoxyphenyl)benzonitrile; 4-(4-decylphenyl)benzonitrile; 4-(4-octylphenyl)benzonitrile Traditional Name: 4-(4-decoxyphenyl)benzonitrile; 4-(4-decylphenyl)benzonitrile; 4-(4-octylphenyl)benzonitrile Formula: C67H83N3O MolecularWeight: 946.39542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N.CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N.CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N.CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N.CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H29NO.C23H29N.C21H25N/c1-2-3-4-5-6-7-8-9-18-25-23-16-14-22(15-17-23)21-12-10-20(19-24)11-13-21;1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23;1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h10-17H,2-9,18H2,1H3;11-18H,2-10H2,1H3;9-16H,2-8H2,1H3