99780-72-0 Purity
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Specification
The molecular formula is C20H24O6.
The molecular weight is 360.4 g/mol.
The IUPAC name is 3,6-bis(phenylmethoxy)cyclohexane-1,2,4,5-tetrol.
The InChI is InChI=1S/C20H24O6/c21-15-17(23)20(26-12-14-9-5-2-6-10-14)18(24)16(22)19(15)25-11-13-7-3-1-4-8-13/h1-10,15-24H,11-12H2.
The InChIKey is UCJKCSNAJUPHIM-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)COC2C(C(C(C(C2O)O)OCC3=CC=CC=C3)O)O.
It has 4 hydrogen bond donor counts.
The XLogP3-AA value is 0.4.
It has 6 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.