1-(4-butoxyphenyl)-2-isocyano-ethanol

Systemtic Name: 1-(4-butoxyphenyl)-2-isocyano-ethanol Openeye Name: 1-(4-butoxyphenyl)-2-isocyano-ethanol CAS Name: 1-(4-butoxyphenyl)-2-isocyanoethanol IUPAC Name: 1-(4-butoxyphenyl)-2-isocyanoethanol Traditional Name: 1-(4-butoxyphenyl)-2-isocyano-ethanol Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C[N+]#[C-])O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C[N+]#[C-])O

InChI

InChI=1S/C13H17NO2/c1-3-4-9-16-12-7-5-11(6-8-12)13(15)10-14-2/h5-8,13,15H,3-4,9-10H2,1H3