1-(1-methylsulfonylpropyl)-2-nitro-3-(trifluoromethyl)benzene

Systemtic Name: 1-(1-methylsulfonylpropyl)-2-nitro-3-(trifluoromethyl)benzene Openeye Name: 1-(1-methylsulfonylpropyl)-2-nitro-3-(trifluoromethyl)benzene CAS Name: 1-(1-methylsulfonylpropyl)-2-nitro-3-(trifluoromethyl)benzene IUPAC Name: 1-(1-methylsulfonylpropyl)-2-nitro-3-(trifluoromethyl)benzene Traditional Name: 1-(1-mesylpropyl)-2-nitro-3-(trifluoromethyl)benzene Formula: C11H12F3NO4S MolecularWeight: 311.27749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3NO4S/c1-3-9(20(2,18)19)7-5-4-6-8(11(12,13)14)10(7)15(16)17/h4-6,9H,3H2,1-2H3