996295 Purity
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Specification
The molecular formula is C32H36O5.
The computed molecular weight is 500.6 g/mol.
The IUPAC name is (14R)-14-(2-naphthalen-2-ylnaphthalen-1-yl)-1,4,7,10,13-pentaoxacycloheptadecane.
The InChI is InChI=1S/C32H36O5/c1-2-8-27-24-28(12-11-25(27)6-1)30-14-13-26-7-3-4-9-29(26)32(30)31-10-5-15-33-16-17-34-18-19-35-20-21-36-22-23-37-31/h1-4,6-9,11-14,24,31H,5,10,15-23H2/t31-/m1/s1.
The InChIKey is DPTPNYOJNANDLI-WJOKGBTCSA-N.
The canonical SMILES is C1CC(OCCOCCOCCOCCOC1)C2=C(C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4.
The isomeric SMILES is C1C[C@@H](OCCOCCOCCOCCOC1)C2=C(C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4.
The XLogP3-AA value is 5.6.
It has 0 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.