PHENYL(SULFO)ACETIC ACID (CHEBI:39680)

CHEBI:39680 - PHENYL(SULFO)ACETIC ACID

Formula	C8H8O5S
Net Charge	0
Average Mass	216.214
Monoisotopic Mass	216.00924
SMILES	[H]OC(=O)[C@@]([H])(c1c([H])c([H])c([H])c([H])c1[H])S(=O)(=O)O[H]
InChI	InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1
InChIKey	USNMCXDGQQVYSW-SSDOTTSWSA-N

ChEBI Ontology

Outgoing Relation(s)
	PHENYL(SULFO)ACETIC ACID (CHEBI:39680) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(2R)-phenyl(sulfo)ethanoic acid	PDBeChem
PHENYL(SULFO)ACETIC ACID	PDBeChem

Manual Xrefs	Databases
256	PDBeChem