1-(4-butoxyphenyl)thiolan-1-ium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate

Systemtic Name: 1-(4-butoxyphenyl)thiolan-1-ium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate Openeye Name: 1-(4-butoxyphenyl)tetrahydrothiophen-1-ium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate CAS Name: 1-(4-butoxyphenyl)thiolan-1-ium; 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate IUPAC Name: 1-(4-butoxyphenyl)thiolan-1-ium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Traditional Name: 1-(4-butoxyphenyl)tetrahydrothiophen-1-ium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Formula: C18H21F9O4S2 MolecularWeight: 536.472569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[S+]2CCCC2.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[S+]2CCCC2.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

InChI

InChI=1S/C14H21OS.C4HF9O3S/c1-2-3-10-15-13-6-8-14(9-7-13)16-11-4-5-12-16;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h6-9H,2-5,10-12H2,1H3;(H,14,15,16)/q+1;/p-1