1-(3-tert-butyl-5-methyl-phenyl)-2-isocyano-ethanol

Systemtic Name: 1-(3-tert-butyl-5-methyl-phenyl)-2-isocyano-ethanol Openeye Name: 1-(3-tert-butyl-5-methyl-phenyl)-2-isocyano-ethanol CAS Name: 1-(3-tert-butyl-5-methylphenyl)-2-isocyanoethanol IUPAC Name: 1-(3-tert-butyl-5-methylphenyl)-2-isocyanoethanol Traditional Name: 1-(3-tert-butyl-5-methyl-phenyl)-2-isocyano-ethanol Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C)(C)C)C(C[N+]#[C-])O

Isomeric SMILES

CC1=CC(=CC(=C1)C(C)(C)C)C(C[N+]#[C-])O

InChI

InChI=1S/C14H19NO/c1-10-6-11(13(16)9-15-5)8-12(7-10)14(2,3)4/h6-8,13,16H,9H2,1-4H3