3-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-(2-hydroxy-1,1-dimethyl-ethyl)benzonitrile CAS Name: 4-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)benzonitrile IUPAC Name: 4-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)benzonitrile Traditional Name: 4-hydroxy-3-(2-hydroxy-1,1-dimethyl-ethyl)benzonitrile Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2/c1-11(2,7-13)9-5-8(6-12)3-4-10(9)14/h3-5,13-14H,7H2,1-2H3