(2-carboxyphenyl)-octadecyl-propyl-sulfanium tetrafluoroborate

Systemtic Name: (2-carboxyphenyl)-octadecyl-propyl-sulfanium tetrafluoroborate Openeye Name: (2-carboxyphenyl)-octadecyl-propyl-sulfonium tetrafluoroborate CAS Name: (2-carboxyphenyl)-octadecyl-propylsulfonium tetrafluoroborate IUPAC Name: (2-carboxyphenyl)-octadecyl-propylsulfanium tetrafluoroborate Traditional Name: (2-carboxyphenyl)-propyl-stearyl-sulfonium tetrafluoroborate Formula: C28H49BF4O2S MolecularWeight: 536.557073

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C28H48O2S.BF4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-31(24-4-2)27-23-20-19-22-26(27)28(29)30;2-1(3,4)5/h19-20,22-23H,3-18,21,24-25H2,1-2H3;/q;-1/p+1