ethyl-(2-thianthren-1-ylphenyl)oxidanium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate

Systemtic Name: ethyl-(2-thianthren-1-ylphenyl)oxidanium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate Openeye Name: ethyl-(2-thianthren-1-ylphenyl)oxonium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate CAS Name: ethyl-[2-(1-thianthrenyl)phenyl]oxonium; 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate IUPAC Name: ethyl-(2-thianthren-1-ylphenyl)oxidanium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Traditional Name: ethyl-(2-thianthren-1-ylphenyl)oxonium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Formula: C24H17F9O4S3 MolecularWeight: 636.570009

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH+]C1=CC=CC=C1C2=C3C(=CC=C2)SC4=CC=CC=C4S3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

Isomeric SMILES

CC[OH+]C1=CC=CC=C1C2=C3C(=CC=C2)SC4=CC=CC=C4S3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

InChI

InChI=1S/C20H16OS2.C4HF9O3S/c1-2-21-16-10-4-3-8-14(16)15-9-7-13-19-20(15)23-18-12-6-5-11-17(18)22-19;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h3-13H,2H2,1H3;(H,14,15,16)