ethanenitrile; 2-methoxy-1-methyl-4-propan-2-yl-benzene

Systemtic Name: ethanenitrile; 2-methoxy-1-methyl-4-propan-2-yl-benzene Openeye Name: acetonitrile; 4-isopropyl-2-methoxy-1-methyl-benzene CAS Name: acetonitrile; 2-methoxy-1-methyl-4-propan-2-ylbenzene IUPAC Name: acetonitrile; 2-methoxy-1-methyl-4-propan-2-ylbenzene Traditional Name: acetonitrile; 4-isopropyl-2-methoxy-1-methyl-benzene Formula: C13H19NO MolecularWeight: 205.29606

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=C(C=C(C=C1)C(C)C)OC

Isomeric SMILES

CC#N.CC1=C(C=C(C=C1)C(C)C)OC

InChI

InChI=1S/C11H16O.C2H3N/c1-8(2)10-6-5-9(3)11(7-10)12-4;1-2-3/h5-8H,1-4H3;1H3