Dataset

3-((E)-2-(3-((E)-2-(3-(octyloxy)quinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)quinoxaline-2-carbaldehyde

This dataset contains experimental data from a sample (3-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde, InChI=1S/C37H34N6O2/c1-2-3-4-5-6-13-24-45-37-35(41-30-18-11-12-19-31(30)43-37)23-22-33-32(38-26-14-7-8-15-27(26)39-33)20-21-34-36(25-44)42-29-17-10-9-16-28(29)40-34/h7-12,14-23,25H,2-6,13,24H2,1H3/b21-20+,23-22+).

Chemical Info

molecular Image
InChI InChI=1S/C37H34N6O2/c1-2-3-4-5-6-13-24-45-37-35(41-30-18-11-12-19-31(30)43-37)23-22-33-32(38-26-14-7-8-15-27(26)39-33)20-21-34-36(25-44)42-29-17-10-9-16-28(29)40-34/h7-12,14-23,25H,2-6,13,24H2,1H3/b21-20+,23-22+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C=O
InChI Key UPHDJXCPMPCIDR-RLJRJAJVSA-N
Molecular Formula C37H34N6O2
Exact Mass 594.719 g/mol

Data and Resources

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Metadata Information

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Author Klein, Jérôme
Maintainer chemotion.net
Language en
MetadataCreated 2022-10-06T14:10:26.378810
MetadataModified 2022-10-06T14:10:26.378815
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