(1-heptanoyloxy-3-hexanethioyloxy-propan-2-yl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (1-heptanoyloxy-3-hexanethioyloxy-propan-2-yl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(heptanoyloxymethyl)-2-hexanethioyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(1-oxoheptoxy)-3-(1-sulfanylidenehexoxy)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (1-heptanoyloxy-3-hexanethioyloxypropan-2-yl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(enanthyloxymethyl)-2-hexanethioyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C21H42NO7PS MolecularWeight: 483.599441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(COC(=S)CCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCC(=O)OCC(COC(=S)CCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C21H42NO7PS/c1-6-8-10-12-13-20(23)26-17-19(18-27-21(31)14-11-9-7-2)29-30(24,25)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3