(2E)-3-(3-ethoxyphenyl)-2-(trifluoromethylimino)-1,3-benzoxazole-6-sulfonic acid

Systemtic Name: (2E)-3-(3-ethoxyphenyl)-2-(trifluoromethylimino)-1,3-benzoxazole-6-sulfonic acid Openeye Name: (2E)-3-(3-ethoxyphenyl)-2-(trifluoromethylimino)-1,3-benzoxazole-6-sulfonic acid CAS Name: (2E)-3-(3-ethoxyphenyl)-2-(trifluoromethylimino)-1,3-benzoxazole-6-sulfonic acid IUPAC Name: (2E)-3-(3-ethoxyphenyl)-2-(trifluoromethylimino)-1,3-benzoxazole-6-sulfonic acid Traditional Name: (2E)-3-m-phenetyl-2-(trifluoromethylimino)-1,3-benzoxazole-6-sulfonic acid Formula: C16H13F3N2O5S MolecularWeight: 402.34503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C3=C(C=C(C=C3)S(=O)(=O)O)OC2=NC(F)(F)F

Isomeric SMILES

CCOC1=CC=CC(=C1)N\2C3=C(C=C(C=C3)S(=O)(=O)O)O/C2=N/C(F)(F)F

InChI

InChI=1S/C16H13F3N2O5S/c1-2-25-11-5-3-4-10(8-11)21-13-7-6-12(27(22,23)24)9-14(13)26-15(21)20-16(17,18)19/h3-9H,2H2,1H3,(H,22,23,24)/b20-15+