ethyl 4-[[4,5-dimethyl-5-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[4,5-dimethyl-5-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoate Openeye Name: ethyl 4-[[4,5-dimethyl-5-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]azo]benzoate CAS Name: 4-[[4,5-dimethyl-5-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4,5-dimethyl-5-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoate Traditional Name: 4-[(4,5-dimethyl-5-triflyloxy-6H-naphthalen-2-yl)azo]benzoic acid ethyl ester Formula: C22H21F3N2O5S MolecularWeight: 482.47275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2=CC(=C3C(=C2)C=CCC3(C)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=CC(=C3C(=C2)C=CCC3(C)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C22H21F3N2O5S/c1-4-31-20(28)15-7-9-17(10-8-15)26-27-18-12-14(2)19-16(13-18)6-5-11-21(19,3)32-33(29,30)22(23,24)25/h5-10,12-13H,4,11H2,1-3H3