(2-cyano-2-methyl-hexyl) 4-oxidanylbenzoate

Systemtic Name: (2-cyano-2-methyl-hexyl) 4-oxidanylbenzoate Openeye Name: (2-cyano-2-methyl-hexyl) 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid (2-cyano-2-methylhexyl) ester IUPAC Name: (2-cyano-2-methylhexyl) 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (2-cyano-2-methyl-hexyl) ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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