6-isothiocyanato-6-(2-methylbutan-2-yldiazenyl)-6-phenyl-hexanoic acid

Systemtic Name: 6-isothiocyanato-6-(2-methylbutan-2-yldiazenyl)-6-phenyl-hexanoic acid Openeye Name: 6-(1,1-dimethylpropylazo)-6-isothiocyanato-6-phenyl-hexanoic acid CAS Name: 6-isothiocyanato-6-(2-methylbutan-2-ylazo)-6-phenylhexanoic acid IUPAC Name: 6-isothiocyanato-6-(2-methylbutan-2-yldiazenyl)-6-phenylhexanoic acid Traditional Name: 6-tert-amylazo-6-isothiocyanato-6-phenyl-hexanoic acid Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=NC(CCCCC(=O)O)(C1=CC=CC=C1)N=C=S

Isomeric SMILES

CCC(C)(C)N=NC(CCCCC(=O)O)(C1=CC=CC=C1)N=C=S

InChI

InChI=1S/C18H25N3O2S/c1-4-17(2,3)20-21-18(19-14-24,13-9-8-12-16(22)23)15-10-6-5-7-11-15/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H,22,23)