[1-(4-ethylhexylsulfanyl)-3-(2-methylprop-2-enoyloxy)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-(4-ethylhexylsulfanyl)-3-(2-methylprop-2-enoyloxy)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(4-ethylhexylsulfanylmethyl)-2-(2-methylprop-2-enoyloxy)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(4-ethylhexylthio)-3-(2-methyl-1-oxoprop-2-enoxy)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(4-ethylhexylsulfanyl)-3-(2-methylprop-2-enoyloxy)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(4-ethylhexylthio)methyl]-2-methacryloyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C20H40NO6PS MolecularWeight: 453.573461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCSCC(COC(=O)C(=C)C)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCC(CC)CCCSCC(COC(=O)C(=C)C)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C20H40NO6PS/c1-8-18(9-2)11-10-14-29-16-19(15-25-20(22)17(3)4)27-28(23,24)26-13-12-21(5,6)7/h18-19H,3,8-16H2,1-2,4-7H3