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3-((4-bromophenyl)sulfanyl)-2-oxopropanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4182

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₉H₆BrO₃S

charge

-1

mass

272.92265

reference

InChIKey

QJDFZNIKGFGPCR-UHFFFAOYSA-M

InChI

InChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13)/p-1

SMILES

O=C([O-])C(=O)CSc1ccc(Br)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17468 chebi:17468	3-((4-bromophenyl)sulfanyl)-2-oxopropanoate (4-bromophenylsulfanyl)pyruvate 3-[(4-bromophenyl)sulfanyl]-2-oxopropanoate S-(4-Bromophenyl)-mercaptopyruvate S-(4-bromophenyl)sulfanylpyruvate
CHEBI:8934 chebi:8934	(4-bromophenylsulfanyl)pyruvic acid 3-[(4-bromophenyl)sulfanyl]-2-oxopropanoic acid S-(4-bromophenyl)mercaptopyruvic acid
kegg.compound:C04264 keggC:C04264	3-[(4-Bromophenyl)sulfanyl]-2-oxopropanoate S-(4-Bromophenyl)-mercaptopyruvate
metacyc.compound:S-4-BROMOPHENYL-MERCAPTOPYRUVATE metacycM:S-4-BROMOPHENYL-MERCAPTOPYRUVATE	3-[(4-bromophenyl)sulfanyl]-2-oxopropanoate 3-(4-bromophenyl)sulfanyl-2-oxo-propanoic acid S-(4-bromophenyl)-mercaptopyruvate
seed.compound:cpd02614 seedM:cpd02614	S-(4-Bromophenyl)-mercaptopyruvate 3-(4-bromophenyl)sulfanyl-2-oxo-propanoic acid S-(4-bromophenyl)-mercaptopyruvate
chebi:12735 chebi:22016 keggC:M_C04264 seedM:M_cpd02614	secondary/obsolete/fantasy identifier