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Bisphenol A sulfate-[13C12] sodium salt

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General Information
Catalog: BLP-000087
Molecular Formula: C3[13C]12H15NaO5S
Molecular Weight: 342.24

Chemical Structure

Synonyms	Bisphenol A-13C12 sulfate-(rings-13C12) sodium salt; Bisphenol A-13C12 sulfate sodium salt-(rings-13C12)
IUPAC Name	sodium;[4-[2-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)propan-2-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl] sulfate
Related CAS	847696-37-1 (unlabelled)
Canonical SMILES	CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C15H16O5S.Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(10-6-12)20-21(17,18)19;/h3-10,16H,1-2H3,(H,17,18,19);/q;+1/p-1/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1;
InChI Key	IENSPWAUWOIJJS-HKPOLAPPSA-M
Purity	95% (CP); 99% atom 13C