benzene; ethanenitrile; propan-2-ol

Systemtic Name: benzene; ethanenitrile; propan-2-ol Openeye Name: acetonitrile; benzene; propan-2-ol CAS Name: acetonitrile; benzene; 2-propanol IUPAC Name: acetonitrile; benzene; propan-2-ol Traditional Name: acetonitrile; benzene; propan-2-ol Formula: C11H17NO MolecularWeight: 179.25878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6.C3H8O.C2H3N/c1-2-4-6-5-3-1;1-3(2)4;1-2-3/h1-6H;3-4H,1-2H3;1H3