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3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene

3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene

Systemtic Name:3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene
Openeye Name:3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CAS Name:3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene
IUPAC Name:3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene
Traditional Name:3-(nitromethylsulfonyl)-2-phenyl-1-(trifluoromethyl)cyclohexa-1,3-diene
Formula: C14H12F3NO4S
MolecularWeight: 347.30959
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)S(=O)(=O)C[N+](=O)[O-])C2=CC=CC=C2)C(F)(F)F


Isomeric SMILES

C1CC(=C(C(=C1)S(=O)(=O)C[N+](=O)[O-])C2=CC=CC=C2)C(F)(F)F


InChI

InChI=1S/C14H12F3NO4S/c15-14(16,17)11-7-4-8-12(23(21,22)9-18(19)20)13(11)10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2


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