2-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]disulfanyl]ethyl-[[2,3-di(tetradecanoyloxy)propoxy-ethoxy-phosphoryl]oxymethyl]-dimethyl-azanium

Systemtic Name: 2-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]disulfanyl]ethyl-[[2,3-di(tetradecanoyloxy)propoxy-ethoxy-phosphoryl]oxymethyl]-dimethyl-azanium Openeye Name: 2-[(1-carboxy-3-hydroxy-3-oxo-propyl)disulfanyl]ethyl-[[2,3-di(tetradecanoyloxy)propoxy-ethoxy-phosphoryl]oxymethyl]-dimethyl-ammonium CAS Name: [2,3-bis(1-oxotetradecoxy)propoxy-ethoxyphosphoryl]oxymethyl-[2-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)disulfanyl]ethyl]-dimethylammonium IUPAC Name: 2-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)disulfanyl]ethyl-[[2,3-di(tetradecanoyloxy)propoxy-ethoxyphosphoryl]oxymethyl]-dimethylazanium Traditional Name: 2-[(1-carboxy-3-hydroxy-3-keto-propyl)disulfanyl]ethyl-[[2,3-di(tetradecanoyloxy)propoxy-ethoxy-phosphoryl]oxymethyl]-dimethyl-ammonium Formula: C42H81NO12PS2+ MolecularWeight: 887.195801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC)OC[N+](C)(C)CCSSC(CC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC)OC[N+](C)(C)CCSSC(CC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C42H80NO12PS2/c1-6-9-11-13-15-17-19-21-23-25-27-29-40(46)51-34-37(55-41(47)30-28-26-24-22-20-18-16-14-12-10-7-2)35-53-56(50,52-8-3)54-36-43(4,5)31-32-57-58-38(42(48)49)33-39(44)45/h37-38H,6-36H2,1-5H3,(H-,44,45,48,49)/p+1