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4-oxidanylidene-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]phthalazine-1-carboxylic acid
4-oxidanylidene-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]phthalazine-1-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C2C(=C1)C(=NN(C2=O)CCSC3=CC=CC(=C3)C(F)(F)F)C(=O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)CCSC3=CC=CC(=C3)C(F)(F)F)C(=O)O
InChI
InChI=1S/C18H13F3N2O3S/c19-18(20,21)11-4-3-5-12(10-11)27-9-8-23-16(24)14-7-2-1-6-13(14)15(22-23)17(25)26/h1-7,10H,8-9H2,(H,25,26)
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