butan-2-yl butyl (4-butylsulfanyl-3-ethyl-3-methyl-2H-1,2,3-triazol-3-ium-1-yl) phosphate

Systemtic Name: butan-2-yl butyl (4-butylsulfanyl-3-ethyl-3-methyl-2H-1,2,3-triazol-3-ium-1-yl) phosphate Openeye Name: butyl (4-butylsulfanyl-3-ethyl-3-methyl-2H-triazol-3-ium-1-yl) sec-butyl phosphate CAS Name: phosphoric acid butan-2-yl butyl [4-(butylthio)-3-ethyl-3-methyl-2H-triazol-3-ium-1-yl] ester IUPAC Name: butan-2-yl butyl (4-butylsulfanyl-3-ethyl-3-methyl-2H-triazol-3-ium-1-yl) phosphate Traditional Name: phosphoric acid butyl [4-(butylthio)-3-ethyl-3-methyl-2H-triazol-3-ium-1-yl] sec-butyl ester Formula: C17H37N3O4PS+ MolecularWeight: 410.532141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OC(C)CC)ON1C=C([N+](N1)(C)CC)SCCCC

Isomeric SMILES

CCCCOP(=O)(OC(C)CC)ON1C=C([N+](N1)(C)CC)SCCCC

InChI

InChI=1S/C17H37N3O4PS/c1-7-11-13-22-25(21,23-16(5)9-3)24-19-15-17(26-14-12-8-2)20(6,10-4)18-19/h15-16,18H,7-14H2,1-6H3/q+1