dibutyl-[2-(4-nitrophenyl)carbonyloxyethyl]sulfanium bromide

Systemtic Name: dibutyl-[2-(4-nitrophenyl)carbonyloxyethyl]sulfanium bromide Openeye Name: dibutyl-[2-(4-nitrobenzoyl)oxyethyl]sulfonium bromide CAS Name: dibutyl-[2-[(4-nitrophenyl)-oxomethoxy]ethyl]sulfonium bromide IUPAC Name: dibutyl-[2-(4-nitrobenzoyl)oxyethyl]sulfanium bromide Traditional Name: dibutyl-[2-(4-nitrobenzoyl)oxyethyl]sulfonium bromide Formula: C17H26BrNO4S MolecularWeight: 420.36164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+](CCCC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCC[S+](CCCC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H26NO4S.BrH/c1-3-5-12-23(13-6-4-2)14-11-22-17(19)15-7-9-16(10-8-15)18(20)21;/h7-10H,3-6,11-14H2,1-2H3;1H/q+1;/p-1