octadecyl-[2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]-propyl-sulfanium tetrafluoroborate

Systemtic Name: octadecyl-[2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]-propyl-sulfanium tetrafluoroborate Openeye Name: [2-(2-hydroxy-1-methyl-2-oxo-ethoxy)phenyl]-octadecyl-propyl-sulfonium tetrafluoroborate CAS Name: [2-(1-hydroxy-1-oxopropan-2-yl)oxyphenyl]-octadecyl-propylsulfonium tetrafluoroborate IUPAC Name: [2-(1-hydroxy-1-oxopropan-2-yl)oxyphenyl]-octadecyl-propylsulfanium tetrafluoroborate Traditional Name: [2-(2-hydroxy-2-keto-1-methyl-ethoxy)phenyl]-propyl-stearyl-sulfonium tetrafluoroborate Formula: C30H53BF4O3S MolecularWeight: 580.609633

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1OC(C)C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1OC(C)C(=O)O

InChI

InChI=1S/C30H52O3S.BF4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-34(25-5-2)29-24-21-20-23-28(29)33-27(3)30(31)32;2-1(3,4)5/h20-21,23-24,27H,4-19,22,25-26H2,1-3H3;/q;-1/p+1