6-[[3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[[3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[[3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[[3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[[3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[[3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C16H12F3NO6S MolecularWeight: 403.32979

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H12F3NO6S/c17-16(18,19)9-2-1-3-10(6-9)27(23,24)20-12-8-14-13(25-4-5-26-14)7-11(12)15(21)22/h1-3,6-8,20H,4-5H2,(H,21,22)