1-(1,4-dithian-1-ium-1-yl)heptan-2-one; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate

Systemtic Name: 1-(1,4-dithian-1-ium-1-yl)heptan-2-one; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate Openeye Name: 1-(1,4-dithian-1-ium-1-yl)heptan-2-one; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate CAS Name: 1-(1,4-dithian-1-ium-1-yl)-2-heptanone; 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate IUPAC Name: 1-(1,4-dithian-1-ium-1-yl)heptan-2-one; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Traditional Name: 1-(1,4-dithian-1-ium-1-yl)heptan-2-one; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Formula: C15H21F9O4S3 MolecularWeight: 532.505469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C[S+]1CCSCC1.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

Isomeric SMILES

CCCCCC(=O)C[S+]1CCSCC1.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

InChI

InChI=1S/C11H21OS2.C4HF9O3S/c1-2-3-4-5-11(12)10-14-8-6-13-7-9-14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h2-10H2,1H3;(H,14,15,16)/q+1;/p-1