3-methylbutyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

Systemtic Name: 3-methylbutyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: isopentyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid isoamyl ester Formula: C14H16F3NO7S2 MolecularWeight: 431.40455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3NO7S2/c1-9(2)5-6-25-13(19)8-26(22)12-4-3-10(7-11(12)18(20)21)27(23,24)14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3