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

Systemtic Name: 3-methylbutyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylethanoate Openeye Name: isopentyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid isoamyl ester Formula: C14H16F3NO5S MolecularWeight: 367.34075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3NO5S/c1-9(2)5-6-23-13(19)8-24(22)12-4-3-10(14(15,16)17)7-11(12)18(20)21/h3-4,7,9H,5-6,8H2,1-2H3