3-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-5-chloranyl-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-5-chloranyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)benzoyl]amino]-5-chloro-2-hydroxy-benzenesulfonic acid CAS Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]amino]-5-chloro-2-hydroxybenzenesulfonic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)benzoyl]amino]-5-chloro-2-hydroxybenzenesulfonic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzoyl]amino]-5-chloro-2-hydroxy-besylic acid Formula: C15H8ClF6NO5S MolecularWeight: 463.736139

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NC2=CC(=CC(=C2O)S(=O)(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NC2=CC(=CC(=C2O)S(=O)(=O)O)Cl

InChI

InChI=1S/C15H8ClF6NO5S/c16-9-4-10(12(24)11(5-9)29(26,27)28)23-13(25)6-1-7(14(17,18)19)3-8(2-6)15(20,21)22/h1-5,24H,(H,23,25)(H,26,27,28)