3-cyano-4-(2-methyloctyl)benzoic acid

Systemtic Name: 3-cyano-4-(2-methyloctyl)benzoic acid Openeye Name: 3-cyano-4-(2-methyloctyl)benzoic acid CAS Name: 3-cyano-4-(2-methyloctyl)benzoic acid IUPAC Name: 3-cyano-4-(2-methyloctyl)benzoic acid Traditional Name: 3-cyano-4-(2-methyloctyl)benzoic acid Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CC1=C(C=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCCC(C)CC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C17H23NO2/c1-3-4-5-6-7-13(2)10-14-8-9-15(17(19)20)11-16(14)12-18/h8-9,11,13H,3-7,10H2,1-2H3,(H,19,20)