IUPAC: 2-[4-chloro-3-[(4-ethynylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

SMILES: C#Cc1ccc(Cc2cc(C3(O)OC(CO)C(O)C(O)C3O)ccc2Cl)cc1

Canonical SMILES: C#CC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)O)O)O)O)Cl

Molecular formula: C21H21ClO6

Molecular weight: 404.80

InChIKey: GXGRVEFOJXINFI-UHFFFAOYSA-N

InChI:

InChI=1S/C21H21ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-15(7-8-16(14)22)21(27)20(26)19(25)18(24)17(11-23)28-21/h1,3-8,10,17-20,23-27H,9,11H2