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Benzoic acid, 2-hydroxy-5-sulfo-, dihydrate
SpectraBase Compound ID B2XxxOuQxiy
InChI InChI=1S/C7H6O6S.2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);;
InChIKey ZILKNFVTEDWQQE-UHFFFAOYSA-N
Mol Weight 250.177 g/mol
Molecular Formula C7H6O8S
Exact Mass 249.978338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxH0czl43cc
Name Benzoic acid, 2-hydroxy-5-sulfo-, dihydrate
Alternate Name(s) 2-Oxidanyl-5-sulfo-benzoic acid dihydrate 5-Sulfosalicylic acid dihydrate Salicylic acid, 5-sulfo-, dihydrate 2-Hydroxy-5-sulfobenzoic acid;dihydrate 2-Oxidanyl-5-sulfo-benzoic acid;dihydrate
CAS Registry Number 5965-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O8S
InChI InChI=1S/C7H6O6S.2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);;
InChIKey ZILKNFVTEDWQQE-UHFFFAOYSA-N
Molecular Weight 254.209 g/mol
SMILES O.OC(c1cc(ccc1O)S(=O)(=O)O)=O.O
SPLASH splash10-0udl-9320000000-5b8bf578d8b1ac97f13b
Source of Spectrum W5-22483-0-0
Wiley ID 1257107