ethyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]diazenyl]benzoate Openeye Name: ethyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]azo]benzoate CAS Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]diazenyl]benzoate Traditional Name: 4-[(5,5-dimethyl-8-triflyl-6H-naphthalen-2-yl)azo]benzoic acid ethyl ester Formula: C22H21F3N2O4S MolecularWeight: 466.47335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)C(CC=C3S(=O)(=O)C(F)(F)F)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)C(CC=C3S(=O)(=O)C(F)(F)F)(C)C

InChI

InChI=1S/C22H21F3N2O4S/c1-4-31-20(28)14-5-7-15(8-6-14)26-27-16-9-10-18-17(13-16)19(11-12-21(18,2)3)32(29,30)22(23,24)25/h5-11,13H,4,12H2,1-3H3