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6-(phenylmethyl)sulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
6-(phenylmethyl)sulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F
Isomeric SMILES
C1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F
InChI
InChI=1S/C18H13F3O5S/c19-18(20,21)16-14(17(22)23)9-12-8-13(6-7-15(12)26-16)27(24,25)10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,22,23)
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