4-(2-cyano-2-methyl-hexoxy)benzoic acid

Systemtic Name: 4-(2-cyano-2-methyl-hexoxy)benzoic acid Openeye Name: 4-(2-cyano-2-methyl-hexoxy)benzoic acid CAS Name: 4-(2-cyano-2-methylhexoxy)benzoic acid IUPAC Name: 4-(2-cyano-2-methylhexoxy)benzoic acid Traditional Name: 4-(2-cyano-2-methyl-hexoxy)benzoic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(COC1=CC=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCC(C)(COC1=CC=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C15H19NO3/c1-3-4-9-15(2,10-16)11-19-13-7-5-12(6-8-13)14(17)18/h5-8H,3-4,9,11H2,1-2H3,(H,17,18)