1-(chloromethyl)-2-propyl-benzene; 2-(2-propylphenyl)ethanenitrile

Systemtic Name: 1-(chloromethyl)-2-propyl-benzene; 2-(2-propylphenyl)ethanenitrile Openeye Name: 1-(chloromethyl)-2-propyl-benzene; 2-(2-propylphenyl)acetonitrile CAS Name: 1-(chloromethyl)-2-propylbenzene; 2-(2-propylphenyl)acetonitrile IUPAC Name: 1-(chloromethyl)-2-propylbenzene; 2-(2-propylphenyl)acetonitrile Traditional Name: 1-(chloromethyl)-2-propyl-benzene; 2-(2-propylphenyl)acetonitrile Formula: C21H26ClN MolecularWeight: 327.89084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1CC#N.CCCC1=CC=CC=C1CCl

Isomeric SMILES

CCCC1=CC=CC=C1CC#N.CCCC1=CC=CC=C1CCl

InChI

InChI=1S/C11H13N.C10H13Cl/c1-2-5-10-6-3-4-7-11(10)8-9-12;1-2-5-9-6-3-4-7-10(9)8-11/h3-4,6-7H,2,5,8H2,1H3;3-4,6-7H,2,5,8H2,1H3