1-(4-tert-butyl-2,5-dimethoxy-phenyl)-2-isocyano-ethanol

Systemtic Name: 1-(4-tert-butyl-2,5-dimethoxy-phenyl)-2-isocyano-ethanol Openeye Name: 1-(4-tert-butyl-2,5-dimethoxy-phenyl)-2-isocyano-ethanol CAS Name: 1-(4-tert-butyl-2,5-dimethoxyphenyl)-2-isocyanoethanol IUPAC Name: 1-(4-tert-butyl-2,5-dimethoxyphenyl)-2-isocyanoethanol Traditional Name: 1-(4-tert-butyl-2,5-dimethoxy-phenyl)-2-isocyano-ethanol Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-15(2,3)11-8-13(18-5)10(7-14(11)19-6)12(17)9-16-4/h7-8,12,17H,9H2,1-3,5-6H3