1-(3-butoxyphenyl)-2-isocyano-ethanol

Systemtic Name: 1-(3-butoxyphenyl)-2-isocyano-ethanol Openeye Name: 1-(3-butoxyphenyl)-2-isocyano-ethanol CAS Name: 1-(3-butoxyphenyl)-2-isocyanoethanol IUPAC Name: 1-(3-butoxyphenyl)-2-isocyanoethanol Traditional Name: 1-(3-butoxyphenyl)-2-isocyano-ethanol Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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