4-[3-oxidanyl-4-sulfonyl-3-(trifluoromethyl)pent-1-ynyl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-oxidanyl-4-sulfonyl-3-(trifluoromethyl)pent-1-ynyl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-hydroxy-4-sulfonyl-3-(trifluoromethyl)pent-1-ynyl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-hydroxy-4-sulfonyl-3-(trifluoromethyl)pent-1-ynyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-hydroxy-4-sulfonyl-3-(trifluoromethyl)pent-1-ynyl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[3-hydroxy-4-sulfonyl-3-(trifluoromethyl)pent-1-ynyl]-2-(trifluoromethyl)benzonitrile Formula: C14H7F6NO3S MolecularWeight: 383.265699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S(=O)=O)C(C#CC1=CC(=C(C=C1)C#N)C(F)(F)F)(C(F)(F)F)O

Isomeric SMILES

CC(=S(=O)=O)C(C#CC1=CC(=C(C=C1)C#N)C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C14H7F6NO3S/c1-8(25(23)24)12(22,14(18,19)20)5-4-9-2-3-10(7-21)11(6-9)13(15,16)17/h2-3,6,22H,1H3