3-nitro-2-oxidanyl-5-(trifluoromethylsulfonyl)benzaldehyde

Systemtic Name: 3-nitro-2-oxidanyl-5-(trifluoromethylsulfonyl)benzaldehyde Openeye Name: 2-hydroxy-3-nitro-5-(trifluoromethylsulfonyl)benzaldehyde CAS Name: 2-hydroxy-3-nitro-5-(trifluoromethylsulfonyl)benzaldehyde IUPAC Name: 2-hydroxy-3-nitro-5-(trifluoromethylsulfonyl)benzaldehyde Traditional Name: 2-hydroxy-3-nitro-5-triflyl-benzaldehyde Formula: C8H4F3NO6S MolecularWeight: 299.18067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4F3NO6S/c9-8(10,11)19(17,18)5-1-4(3-13)7(14)6(2-5)12(15)16/h1-3,14H