3-(hydroxymethyl)-2,4,6-trimethyl-benzenecarbonitrile oxide

Systemtic Name: 3-(hydroxymethyl)-2,4,6-trimethyl-benzenecarbonitrile oxide Openeye Name: 3-(hydroxymethyl)-2,4,6-trimethyl-benzonitrile oxide CAS Name: 3-(hydroxymethyl)-2,4,6-trimethylbenzonitrile oxide IUPAC Name: 3-(hydroxymethyl)-2,4,6-trimethylbenzonitrile oxide Traditional Name: 2,4,6-trimethyl-3-methylol-benzonitrile oxide Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C#[N+][O-])C)CO)C

Isomeric SMILES

CC1=CC(=C(C(=C1C#[N+][O-])C)CO)C

InChI

InChI=1S/C11H13NO2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12-14/h4,13H,6H2,1-3H3