80509-54-2
2,9-DI(CYCLODODECYL)-ANTHRA[2,1,9-DEF:6,5,10-D'E'F']DIISOQUINOLINE-1,3,8,10-TETRONE
Name
2,9-DI(CYCLODODECYL)-ANTHRA[2,1,9-DEF:6,5,10-D'E'F']DIISOQUINOLINE-1,3,8,10-TETRONE
Formula
C48 H54 N2 O4
MolWeight
722.965
1Identification
【Name】
2,9-DI(CYCLODODECYL)-ANTHRA[2,1,9-DEF:6,5,10-D'E'F']DIISOQUINOLINE-1,3,8,10-TETRONE
【CAS】
17734-43-9
;80509-54-2
【MDL】
MFCD00799277
【English Synonyms】
【Formula】
C48 H54 N2 O4
【MolWeight】
722.965
【Inchi】
InChI=1S/C48H54N2O4/c51-45-37-27-23-33-35-25-29-39-44-40(48(54)50(47(39)53)32-21-17-13-9-5-2-6-10-14-18-22-32)30-26-36(42(35)44)34-24-28-38(43(37)41(33)34)46(52)49(45)31-19-15-11-7-3-1-4-8-12-16-20-31/h23-32H,1-22H2
【InChIKey】
InChIKey=NGUREBLRQZQROY-UHFFFAOYSA-N
【SMILES】
c1cc2c3c(ccc4c3c1c5ccc6c7c5c4ccc7C(=O)N(C6=O)C8CCCCCCCCCCC8)C(=O)N(C2=O)C9CCCCCCCCCCC9
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:14.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,9-DI(CYCLODODECYL)-ANTHRA[2,1,9-DEF:6,5,10-D'E'F']DIISOQUINOLINE-1,3,8,10-TETRONE.cml
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Aagile Labs Division of Tyger Scientific
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