4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoic acid Openeye Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]azo]benzoic acid CAS Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]azo]benzoic acid IUPAC Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoic acid Traditional Name: 4-[(5,5-dimethyl-8-triflyloxy-6H-naphthalen-2-yl)azo]benzoic acid Formula: C20H17F3N2O5S MolecularWeight: 454.41959

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)N=NC3=CC=C(C=C3)C(=O)O)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)N=NC3=CC=C(C=C3)C(=O)O)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C20H17F3N2O5S/c1-19(2)10-9-17(30-31(28,29)20(21,22)23)15-11-14(7-8-16(15)19)25-24-13-5-3-12(4-6-13)18(26)27/h3-9,11H,10H2,1-2H3,(H,26,27)