β-D-Glucopyranosiduronic acid, 1H-indol-3-yl, compd. with cyclohexanamine (1:1)
CAS Registry Number®
216971-58-3
CAS Name
β-D-Glucopyranosiduronic acid, 1H-indol-3-yl, compd. with cyclohexanamine (1:1)Molecular Formula
C14H15NO7.C6H13NCite this Page
β-D-Glucopyranosiduronic acid, 1H-indol-3-yl, compd. with cyclohexanamine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=216971-58-3 (retrieved ) (CAS RN: 216971-58-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C14H15NO7.C6H13N/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8;7-6-4-2-1-3-5-6/h1-5,9-12,14-18H,(H,19,20);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
InChIKey
InChIKey=YGIPNZMTCTUCAX-CYRSAHDMSA-N
SMILES
O(C=1C=2C(NC1)=CC=CC2)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O.NC1CCCCC1
Canonical SMILES
O=C(O)C1OC(OC2=CNC=3C=CC=CC23)C(O)C(O)C1O.NC1CCCCC1
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 1H-indol-3-yl, compd. with cyclohexanamine (1:1)
