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

Systemtic Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalene-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalene-2-carbonyl]amino]benzoic acid Traditional Name: 4-[(5,5-dimethyl-8-triflyloxy-6H-naphthalene-2-carbonyl)amino]benzoic acid Formula: C21H18F3NO6S MolecularWeight: 469.43093

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18F3NO6S/c1-20(2)10-9-17(31-32(29,30)21(22,23)24)15-11-13(5-8-16(15)20)18(26)25-14-6-3-12(4-7-14)19(27)28/h3-9,11H,10H2,1-2H3,(H,25,26)(H,27,28)