6-tert-Butyl-2,3-naphthalenedicarbonitrile

Product Specifications

CAS Number

32703-82-5

Synonyms

6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile; 2,3-Dicyano-6-tert-butylnaphthalene; 6-tert-Butyl-2,3-dicyanonaphthalene; 6-tert-Butyl-2,3-naphthalodinitrile; 6-tert-Butylnaphthalene-2,3-dicarbonitrile;

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

CCC1=C(C)\C\2=C\c3c(CC)c(C)c4\C=C\5/N=C(\C=C\6/N([Pd]n34)\C(=C/C1=N2)\C(=C6CCC(=O)O)C)C(=C5C)CCC(=O)O

Molecular Formula

C34 H36 N4 O4 Pd

Molecular Weight

671.094

InChI

InChI=1S/C34H38N4O4.Pd/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16+,32-16+;

Additionnal Information

IUPAC name: 3-[5-(2-carboxyethyl)-14,19-diethyl-4,10,15,20-tetramethyl-21,23,24,25-tetraza-22λ2-palladahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-9-yl]propanoic acid