ethyl-(4-hydroxyphenyl)-[(2-nitrophenyl)methyl]sulfanium stiborate hexahydrofluoride

Systemtic Name: ethyl-(4-hydroxyphenyl)-[(2-nitrophenyl)methyl]sulfanium stiborate hexahydrofluoride Openeye Name: ethyl-(4-hydroxyphenyl)-[(2-nitrophenyl)methyl]sulfonium stiborate hexahydrofluoride CAS Name: ethyl-(4-hydroxyphenyl)-[(2-nitrophenyl)methyl]sulfonium stiborate hexahydrofluoride IUPAC Name: ethyl-(4-hydroxyphenyl)-[(2-nitrophenyl)methyl]sulfanium stiborate hexahydrofluoride Traditional Name: ethyl-(4-hydroxyphenyl)-(2-nitrobenzyl)sulfonium stiborate hexahydrofluoride Formula: C45H54F6N3O13S3Sb MolecularWeight: 1176.867979

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+](CC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)O.CC[S+](CC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)O.CC[S+](CC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)O.[O-][Sb](=O)([O-])[O-].F.F.F.F.F.F

Isomeric SMILES

CC[S+](CC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)O.CC[S+](CC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)O.CC[S+](CC1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)O.[O-][Sb](=O)([O-])[O-].F.F.F.F.F.F

InChI

InChI=1S/3C15H15NO3S.6FH.4O.Sb/c3*1-2-20(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16(18)19;;;;;;;;;;;/h3*3-10H,2,11H2,1H3;6*1H;;;;;/q;;;;;;;;;;3*-1;/p+3