1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ylcarbamoyl 4-methylbenzenesulfonate

Systemtic Name: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ylcarbamoyl 4-methylbenzenesulfonate Openeye Name: [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamoyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-oxomethyl] ester IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-ylcarbamoyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamoyl ester Formula: C11H9F6NO4S MolecularWeight: 365.248879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)NC(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)NC(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H9F6NO4S/c1-6-2-4-7(5-3-6)23(20,21)22-9(19)18-8(10(12,13)14)11(15,16)17/h2-5,8H,1H3,(H,18,19)