4-[[[2-oxidanylidene-4-(trifluoromethyl)chromen-3-yl]amino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[[2-oxidanylidene-4-(trifluoromethyl)chromen-3-yl]amino]methyl]benzenesulfonic acid Openeye Name: 4-[[[2-oxo-4-(trifluoromethyl)chromen-3-yl]amino]methyl]benzenesulfonic acid CAS Name: 4-[[[2-oxo-4-(trifluoromethyl)-1-benzopyran-3-yl]amino]methyl]benzenesulfonic acid IUPAC Name: 4-[[[2-oxo-4-(trifluoromethyl)chromen-3-yl]amino]methyl]benzenesulfonic acid Traditional Name: 4-[[[2-keto-4-(trifluoromethyl)chromen-3-yl]amino]methyl]besylic acid Formula: C17H12F3NO5S MolecularWeight: 399.34109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)NCC3=CC=C(C=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)NCC3=CC=C(C=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C17H12F3NO5S/c18-17(19,20)14-12-3-1-2-4-13(12)26-16(22)15(14)21-9-10-5-7-11(8-6-10)27(23,24)25/h1-8,21H,9H2,(H,23,24,25)