1,1,2,2,3,3,4,4,5-nonakis(fluoranyl)octyl 4-methylbenzenesulfonate

Systemtic Name: 1,1,2,2,3,3,4,4,5-nonakis(fluoranyl)octyl 4-methylbenzenesulfonate Openeye Name: 1,1,2,2,3,3,4,4,5-nonafluorooctyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,1,2,2,3,3,4,4,5-nonafluorooctyl ester IUPAC Name: 1,1,2,2,3,3,4,4,5-nonafluorooctyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,1,2,2,3,3,4,4,5-nonafluorooctyl ester Formula: C15H15F9O3S MolecularWeight: 446.328429

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C(C(OS(=O)(=O)C1=CC=C(C=C1)C)(F)F)(F)F)(F)F)(F)F)F

Isomeric SMILES

CCCC(C(C(C(C(OS(=O)(=O)C1=CC=C(C=C1)C)(F)F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C15H15F9O3S/c1-3-4-11(16)12(17,18)13(19,20)14(21,22)15(23,24)27-28(25,26)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3