4-[[2-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxyphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyloxyphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxyanilino]-4-oxo-butanoate CAS Name: 4-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxyanilino]-4-oxobutanoate IUPAC Name: 4-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxyanilino]-4-oxobutanoate Traditional Name: 4-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyloxyanilino]-4-keto-butyrate Formula: C17H12ClF3NO6S- MolecularWeight: 450.79349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC(=O)[O-])OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)[O-])OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C17H13ClF3NO6S/c18-11-6-5-10(17(19,20)21)9-14(11)29(26,27)28-13-4-2-1-3-12(13)22-15(23)7-8-16(24)25/h1-6,9H,7-8H2,(H,22,23)(H,24,25)/p-1