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CAS Number: 1088205-04-2
4,9-dibromo-2,7-bis(2-decyltetradecyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

Structure

4,9-dibromo-2,7-bis(2-decyltetradecyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
Name: 4,9-dibromo-2,7-bis(2-decyltetradecyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
Synonyms:
General Information
Product Number: 1088205042

CAS Registry Number 1088205-04-2
Name:
Benzo[lmn]​[3,​8]​phenanthroline-​1,​3,​6,​8(2H,​7H)​-​tetrone, 4,​9-​dibromo-​2,​7-​bis(2-​decyltetradecyl)​-
4,9-Dibromo-2,7-bis(2-decyltetradecyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone

 

Chemical Formula: C62H100Br2N2O4
Exact Mass: 1094.60
Molecular Weight: 1097.28
m/z: 1096.60 (100.0%), 1097.61 (68.7%), 1094.60 (51.4%), 1098.60 (49.1%), 1095.61 (35.1%), 1099.60 (33.0%), 1098.61 (23.8%), 1096.61 (12.5%), 1100.61 (11.8%), 1099.61 (6.2%), 1101.61 (2.7%), 1097.62 (2.6%)

 

InChI:InChI=1S/C62H100Br2N2O4/c1-5-9-13-17-21-25-27-31-35-39-43-49(41-37-33-29-23-19-15-11-7-3)47-65-59(67)51-45-54(64)58-56-52(46-53(63)57(55(51)56)61(65)69)60(68)66(62(58)70)48-50(42-38-34-30-24-20-16-12-8-4)44-40-36-32-28-26-22-18-14-10-6-2/h45-46,49-50H,5-44,47-48H2,1-4H3

InChI Key:KQOCDXMACZRHBH-UHFFFAOYSA-N

Canonical SMILES:CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CC(CCCCCCCCCC)CCCCCCCCCCCC)Br)C1=O)Br

Specification

98%

References

(1) Kim, Yun Hi; WO 2014200249 A1 2014 CAPLUS

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