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CAS Number: 60033-00-3
4,4'-((1E,1'E)-((phenylmethylene)bis(2,5-dimethyl-4,1-phenylene))bis(diazene-2,1-diyl))bis(3-hydroxy-N-phenyl-2-naphthamide)

Structure

4,4'-((1E,1'E)-((phenylmethylene)bis(2,5-dimethyl-4,1-phenylene))bis(diazene-2,1-diyl))bis(3-hydroxy-N-phenyl-2-naphthamide)
Name: 4,4'-((1E,1'E)-((phenylmethylene)bis(2,5-dimethyl-4,1-phenylene))bis(diazene-2,1-diyl))bis(3-hydroxy-N-phenyl-2-naphthamide)
Synonyms:
General Information
Product Number: 60033003
CAS Registry Number:
60033-00-3
Name:
2-​Naphthalenecarboxami​de, 4,​4'-​[(phenylmethylene)​bis[(2,​5-​dimethyl-​4,​1-​phenylene)​-​2,​1-​diazenediyl]​]​bis[3-​hydroxy-​N-​phenyl-
2-​Naphthalenecarboxami​de, 4,​4'-​[(phenylmethylene)​bis[(2,​5-​dimethyl-​4,​1-​phenylene)​azo]​]​bis[3-​hydroxy-​N-​phenyl- (9CI) 
 
Deleted CAS Registry Numbers: 80234-​32-​8
 
Chemical Formula: C57H46N6O4
Exact Mass: 878.36
Molecular Weight: 879.01
m/z: 878.36 (100.0%), 879.36 (64.5%), 880.36 (20.9%), 881.37 (4.3%)
Elemental Analysis: C, 77.88; H, 5.27; N, 9.56; O, 7.28
 
InChI: InChI=1S/C57H46N6O4/c1-34-30-49(60-62-52-43-26-16-14-20-39(43)32-47(54(52)64)56(66)58-41-22-10-6-11-23-41)36(3)28-45(34)51(38-18-8-5-9-19-38)46-29-37(4)50(31-35(46)2)61-63-53-44-27-17-15-21-40(44)33-48(55(53)65)57(67)59-42-24-12-7-13-25-42/h5-33,51,60-61H,1-4H3,(H,58,66)(H,59,67)/b62-52-,63-53+
InChIKey: QWZLJMRDXFADBK-MIWFBZCBSA-N
Canonical SMILES : CC1=CC(=C(C=C1C(C2=CC=CC=C2)C3=CC(=C(C=C3C)NN=C4C5=CC=CC=C5C=C(C4=O)C(=O)NC6=CC=CC=C6)C)C)NN=C7C8=CC=CC=C8C=C(C7=O)C(=O)NC9=CC=CC=C9
Isomeric SMILES: CC1=CC(=C(C=C1C(C2=CC=CC=C2)C3=CC(=C(C=C3C)N/N=C\4/C5=CC=CC=C5C=C(C4=O)C(=O)NC6=CC=CC=C6)C)C)N/N=C/7\C8=CC=CC=C8C=C(C7=O)C(=O)NC9=CC=CC=C9

Specification

98%

References

Jpn. Kokai Tokkyo Koho (2003), JP 2003090838 A 20030328.

Jpn. Kokai Tokkyo Koho (2003), JP 2003014725 A 20030115. 

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