(4-ethyl-2-nitro-6-pent-4-en-2-yl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-ethyl-2-nitro-6-pent-4-en-2-yl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: [4-ethyl-2-(1-methylbut-3-enyl)-6-nitro-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (4-ethyl-2-nitro-6-pent-4-en-2-ylphenyl) ester IUPAC Name: (4-ethyl-2-nitro-6-pent-4-en-2-ylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-ethyl-2-(1-methylbut-3-enyl)-6-nitro-phenyl] ester Formula: C14H16F3NO5S MolecularWeight: 367.34075

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C(C)CC=C

Isomeric SMILES

CCC1=CC(=C(C(=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F)C(C)CC=C

InChI

InChI=1S/C14H16F3NO5S/c1-4-6-9(3)11-7-10(5-2)8-12(18(19)20)13(11)23-24(21,22)14(15,16)17/h4,7-9H,1,5-6H2,2-3H3