33273-15-3 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C40H32BLiN4O4.
The molecular weight is 650.5 g/mol.
The IUPAC name is lithium;tetrakis[(2-methylquinolin-8-yl)oxy]boranuide.
The InChI is InChI=1S/C40H32BN4O4.Li/c1-25-17-21-29-9-5-13-33(37(29)42-25)46-41(47-34-14-6-10-30-22-18-26(2)43-38(30)34,48-35-15-7-11-31-23-19-27(3)44-39(31)35)49-36-16-8-12-32-24-20-28(4)45-40(32)36;/h5-24H,1-4H3;/q-1;+1.
The Canonical SMILES is [Li+].[B-](OC1=CC=CC2=C1N=C(C=C2)C)(OC3=CC=CC4=C3N=C(C=C4)C)(OC5=CC=CC6=C5N=C(C=C6)C)OC7=CC=CC8=C7N=C(C=C8)C.
The CAS number is 338949-42-1.
The EPA DSSTox Substance ID is DTXSID10635781.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 9.
Yes, it is a canonicalized compound.