[4-[1-ethoxy-13-(4-methylphenyl)-1-oxidanylidene-tridecan-2-yl]phenyl]sulfanium tetrafluoroborate

Systemtic Name: [4-[1-ethoxy-13-(4-methylphenyl)-1-oxidanylidene-tridecan-2-yl]phenyl]sulfanium tetrafluoroborate Openeye Name: [4-[1-ethoxycarbonyl-12-(p-tolyl)dodecyl]phenyl]sulfonium tetrafluoroborate CAS Name: [4-[1-ethoxy-13-(4-methylphenyl)-1-oxotridecan-2-yl]phenyl]sulfonium tetrafluoroborate IUPAC Name: [4-[1-ethoxy-13-(4-methylphenyl)-1-oxotridecan-2-yl]phenyl]sulfanium tetrafluoroborate Traditional Name: [4-[1-carbethoxy-12-(p-tolyl)dodecyl]phenyl]sulfonium tetrafluoroborate Formula: C28H41BF4O2S MolecularWeight: 528.493553

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C(CCCCCCCCCCCC1=CC=C(C=C1)C)C2=CC=C(C=C2)[SH2+]

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C(CCCCCCCCCCCC1=CC=C(C=C1)C)C2=CC=C(C=C2)[SH2+]

InChI

InChI=1S/C28H40O2S.BF4/c1-3-30-28(29)27(25-19-21-26(31)22-20-25)14-12-10-8-6-4-5-7-9-11-13-24-17-15-23(2)16-18-24;2-1(3,4)5/h15-22,27,31H,3-14H2,1-2H3;/q;-1/p+1