(2-hexadecoxy-2-oxidanylidene-ethyl)-[2-[2-[(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]ethylsulfanyl]ethyl]-dimethyl-azanium

Systemtic Name: (2-hexadecoxy-2-oxidanylidene-ethyl)-[2-[2-[(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]ethylsulfanyl]ethyl]-dimethyl-azanium Openeye Name: (2-hexadecoxy-2-oxo-ethyl)-[2-[2-[(2-hexadecoxy-2-oxo-ethyl)-dimethyl-ammonio]ethylsulfanyl]ethyl]-dimethyl-ammonium CAS Name: (2-hexadecoxy-2-oxoethyl)-[2-[2-[(2-hexadecoxy-2-oxoethyl)-dimethylammonio]ethylthio]ethyl]-dimethylammonium IUPAC Name: (2-hexadecoxy-2-oxoethyl)-[2-[2-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium Traditional Name: (2-cetyloxy-2-keto-ethyl)-[2-[2-[(2-cetyloxy-2-keto-ethyl)-dimethyl-ammonio]ethylthio]ethyl]-dimethyl-ammonium Formula: C44H90N2O4S+2 MolecularWeight: 743.2614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H90N2O4S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-49-43(47)41-45(3,4)35-39-51-40-36-46(5,6)42-44(48)50-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-42H2,1-6H3/q+2