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13-phenylpentacosan-13-ylsulfanium bromide

Systemtic Name:	13-phenylpentacosan-13-ylsulfanium bromide
Openeye Name:	(1-dodecyl-1-phenyl-tridecyl)sulfonium bromide
CAS Name:	13-phenylpentacosan-13-ylsulfonium bromide
IUPAC Name:	13-phenylpentacosan-13-ylsulfanium bromide
Traditional Name:	(1-lauryl-1-phenyl-tridecyl)sulfonium bromide
Formula:	C₃₁H₅₇BrS
MolecularWeight:	541.75328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C1=CC=CC=C1)[SH2+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C1=CC=CC=C1)[SH2+].[Br-]

InChI

InChI=1S/C31H56S.BrH/c1-3-5-7-9-11-13-15-17-19-24-28-31(32,30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2;/h21-23,26-27,32H,3-20,24-25,28-29H2,1-2H3;1H

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