β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2)
CAS Registry Number®
1041134-19-3
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CAS Name
β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2)Molecular Formula
C21H18O13S.2NaCite this Page
β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1041134-19-3 (retrieved ) (CAS RN: 1041134-19-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H18O13S.2Na/c22-15-12-6-5-11(32-21-18(25)16(23)17(24)19(33-21)20(26)27)7-14(12)31-8-13(15)9-1-3-10(4-2-9)34-35(28,29)30;;/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30);;/t16-,17-,18+,19-,21+;;/m0../s1
InChIKey
InChIKey=LBOHZYLBUVKTRD-DSGPYVBMSA-N
SMILES
O=C1C=2C(=CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2)OC=C1C4=CC=C(OS(=O)(=O)O)C=C4.[Na]
Canonical SMILES
[Na].O=C(O)C1OC(OC2=CC=C3C(=O)C(=COC3=C2)C=4C=CC(OS(=O)(=O)O)=CC4)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2)
