4-(2-oxidanylhexan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanylhexan-2-yl)benzenecarbonitrile Openeye Name: 4-(1-hydroxy-1-methyl-pentyl)benzonitrile CAS Name: 4-(2-hydroxyhexan-2-yl)benzonitrile IUPAC Name: 4-(2-hydroxyhexan-2-yl)benzonitrile Traditional Name: 4-(1-hydroxy-1-methyl-pentyl)benzonitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-3-4-9-13(2,15)12-7-5-11(10-14)6-8-12/h5-8,15H,3-4,9H2,1-2H3