[3,5-bis(trifluoromethyl)phenyl]-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-sulfonyl-azanium

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-sulfonyl-azanium Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-(1-carboxy-3-methyl-butyl)-sulfonyl-ammonium CAS Name: [3,5-bis(trifluoromethyl)phenyl]-(1-hydroxy-4-methyl-1-oxopentan-2-yl)-sulfonylammonium IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-(1-hydroxy-4-methyl-1-oxopentan-2-yl)-sulfonylazanium Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-(1-carboxy-3-methyl-butyl)-sulfonyl-ammonium Formula: C14H14F6NO4S+ MolecularWeight: 406.320679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)[N+](=S(=O)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)O)[N+](=S(=O)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H13F6NO4S/c1-7(2)3-11(12(22)23)21(26(24)25)10-5-8(13(15,16)17)4-9(6-10)14(18,19)20/h4-7,11H,3H2,1-2H3/p+1