6-(2-cyanopropan-2-yldiazenyl)-6-phenyl-hexanoic acid

Systemtic Name: 6-(2-cyanopropan-2-yldiazenyl)-6-phenyl-hexanoic acid Openeye Name: 6-(1-cyano-1-methyl-ethyl)azo-6-phenyl-hexanoic acid CAS Name: 6-(2-cyanopropan-2-ylazo)-6-phenylhexanoic acid IUPAC Name: 6-(2-cyanopropan-2-yldiazenyl)-6-phenylhexanoic acid Traditional Name: 6-(1-cyano-1-methyl-ethyl)azo-6-phenyl-hexanoic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-16(2,12-17)19-18-14(10-6-7-11-15(20)21)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-11H2,1-2H3,(H,20,21)