[2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl] propane-2-sulfonate

Systemtic Name: [2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl] propane-2-sulfonate Openeye Name: [2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)phenyl] ester Formula: C16H13ClF3NO6S MolecularWeight: 439.79073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H13ClF3NO6S/c1-9(2)28(24,25)27-15-12(16(18,19)20)7-8-13(14(15)17)26-11-5-3-10(4-6-11)21(22)23/h3-9H,1-2H3