6-(10-ethoxycarbothioylsulfanyl-13-oxidanylidene-13-phenyl-tridecanoyl)oxyhexyl-trimethyl-azanium

Systemtic Name: 6-(10-ethoxycarbothioylsulfanyl-13-oxidanylidene-13-phenyl-tridecanoyl)oxyhexyl-trimethyl-azanium Openeye Name: 6-(10-ethoxycarbothioylsulfanyl-13-oxo-13-phenyl-tridecanoyl)oxyhexyl-trimethyl-ammonium CAS Name: 6-[10-[[ethoxy(sulfanylidene)methyl]thio]-1,13-dioxo-13-phenyltridecoxy]hexyl-trimethylammonium IUPAC Name: 6-(10-ethoxycarbothioylsulfanyl-13-oxo-13-phenyltridecanoyl)oxyhexyl-trimethylazanium Traditional Name: 6-[10-(ethoxycarbothioylthio)-13-keto-13-phenyl-tridecanoyl]oxyhexyl-trimethyl-ammonium Formula: C31H52NO4S2+ MolecularWeight: 566.87888

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H52NO4S2/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/h12-14,19-20,28H,5-11,15-18,21-26H2,1-4H3/q+1