phenyl 5-cyano-5-[(6-oxidanylidene-6-phenoxy-hexan-2-yl)diazenyl]hexanoate

Systemtic Name: phenyl 5-cyano-5-[(6-oxidanylidene-6-phenoxy-hexan-2-yl)diazenyl]hexanoate Openeye Name: phenyl 5-cyano-5-(1-methyl-5-oxo-5-phenoxy-pentyl)azo-hexanoate CAS Name: 5-cyano-5-(6-oxo-6-phenoxyhexan-2-yl)azohexanoic acid phenyl ester IUPAC Name: phenyl 5-cyano-5-[(6-oxo-6-phenoxyhexan-2-yl)diazenyl]hexanoate Traditional Name: 5-cyano-5-(5-keto-1-methyl-5-phenoxy-pentyl)azo-hexanoic acid phenyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC1=CC=CC=C1)N=NC(C)(CCCC(=O)OC2=CC=CC=C2)C#N

Isomeric SMILES

CC(CCCC(=O)OC1=CC=CC=C1)N=NC(C)(CCCC(=O)OC2=CC=CC=C2)C#N

InChI

InChI=1S/C25H29N3O4/c1-20(11-9-16-23(29)31-21-12-5-3-6-13-21)27-28-25(2,19-26)18-10-17-24(30)32-22-14-7-4-8-15-22/h3-8,12-15,20H,9-11,16-18H2,1-2H3