3-hexoxy-5-isocyano-benzoic acid

Systemtic Name: 3-hexoxy-5-isocyano-benzoic acid Openeye Name: 3-hexoxy-5-isocyano-benzoic acid CAS Name: 3-hexoxy-5-isocyanobenzoic acid IUPAC Name: 3-hexoxy-5-isocyanobenzoic acid Traditional Name: 3-hexoxy-5-isocyano-benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC(=C1)[N+]#[C-])C(=O)O

Isomeric SMILES

CCCCCCOC1=CC(=CC(=C1)[N+]#[C-])C(=O)O

InChI

InChI=1S/C14H17NO3/c1-3-4-5-6-7-18-13-9-11(14(16)17)8-12(10-13)15-2/h8-10H,3-7H2,1H3,(H,16,17)