7-[5-methanoyl-2-(trifluoromethyloxy)phenyl]-3,3-dimethyl-2H-1-benzofuran-5-sulfonic acid

Systemtic Name: 7-[5-methanoyl-2-(trifluoromethyloxy)phenyl]-3,3-dimethyl-2H-1-benzofuran-5-sulfonic acid Openeye Name: 7-[5-formyl-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-2H-benzofuran-5-sulfonic acid CAS Name: 7-[5-formyl-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-2H-benzofuran-5-sulfonic acid IUPAC Name: 7-[5-formyl-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-2H-1-benzofuran-5-sulfonic acid Traditional Name: 7-[5-formyl-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-coumaran-5-sulfonic acid Formula: C18H15F3O6S MolecularWeight: 416.36831

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2C3=C(C=CC(=C3)C=O)OC(F)(F)F)S(=O)(=O)O)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2C3=C(C=CC(=C3)C=O)OC(F)(F)F)S(=O)(=O)O)C

InChI

InChI=1S/C18H15F3O6S/c1-17(2)9-26-16-13(6-11(7-14(16)17)28(23,24)25)12-5-10(8-22)3-4-15(12)27-18(19,20)21/h3-8H,9H2,1-2H3,(H,23,24,25)