bis(trifluoromethylsulfonyl)azanide; 6-(10-ethoxycarbothioylsulfanyl-13-oxidanylidene-13-phenyl-tridecanoyl)oxyhexyl-trimethyl-azanium

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 6-(10-ethoxycarbothioylsulfanyl-13-oxidanylidene-13-phenyl-tridecanoyl)oxyhexyl-trimethyl-azanium Openeye Name: bis(trifluoromethylsulfonyl)azanide; 6-(10-ethoxycarbothioylsulfanyl-13-oxo-13-phenyl-tridecanoyl)oxyhexyl-trimethyl-ammonium CAS Name: bis(trifluoromethylsulfonyl)azanide; 6-[10-[[ethoxy(sulfanylidene)methyl]thio]-1,13-dioxo-13-phenyltridecoxy]hexyl-trimethylammonium IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 6-(10-ethoxycarbothioylsulfanyl-13-oxo-13-phenyltridecanoyl)oxyhexyl-trimethylazanium Traditional Name: ditriflylazanide; 6-[10-(ethoxycarbothioylthio)-13-keto-13-phenyl-tridecanoyl]oxyhexyl-trimethyl-ammonium Formula: C33H52F6N2O8S4 MolecularWeight: 847.024999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCCCCCCCC(=O)OCCCCCC[N+](C)(C)C)CCC(=O)C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=S)SC(CCCCCCCCC(=O)OCCCCCC[N+](C)(C)C)CCC(=O)C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C31H52NO4S2.C2F6NO4S2/c1-5-35-31(37)38-28(23-24-29(33)27-19-13-12-14-20-27)21-15-8-6-7-9-16-22-30(34)36-26-18-11-10-17-25-32(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14,19-20,28H,5-11,15-18,21-26H2,1-4H3;/q+1;-1