Dataset

dimethyl 2-formyl-3-((E)-2-(3-((E)-2-(3-(octyloxy)quinoxalin-2-yl)vinyl)-6,7-diphenylquinoxalin-2-yl)vinyl)quinoxaline-6,7-dicarboxylate

This dataset contains experimental data from a sample (methyl 4-[2-formyl-7-(4-methoxycarbonylphenyl)-3-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxalin-6-yl]benzoate, InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+).

Chemical Info

molecular Image
InChI InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2nc1/C=C/c1nc2cc(-c3ccc(C(=O)OC)cc3)c(-c3ccc(C(=O)OC)cc3)cc2nc1C=O
InChI Key LCHRVGBGMUEFLV-VPHDGDOJSA-N
Molecular Formula C65H54N6O6
Exact Mass 1015.183 g/mol

Data and Resources

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Metadata Information

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Author Klein, Jérôme
Maintainer chemotion.net
Language en
MetadataCreated 2022-10-06T14:10:13.281272
MetadataModified 2022-10-06T14:10:13.281276
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