Dataset

dimethyl 2-methyl-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-[7-(4-methoxycarbonylphenyl)-3-methyl-2-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxalin-6-yl]benzoate, InChI=1S/C65H56N6O5/c1-5-6-7-8-9-18-37-76-63-58(68-54-23-16-17-24-55(54)71-63)36-35-57-56(69-61-39-49(43-19-12-10-13-20-43)50(40-62(61)70-57)44-21-14-11-15-22-44)34-33-53-42(2)66-59-38-51(45-25-29-47(30-26-45)64(72)74-3)52(41-60(59)67-53)46-27-31-48(32-28-46)65(73)75-4/h10-17,19-36,38-41H,5-9,18,37H2,1-4H3/b34-33+,36-35+).

Chemical Info

InChI	InChI=1S/C65H56N6O5/c1-5-6-7-8-9-18-37-76-63-58(68-54-23-16-17-24-55(54)71-63)36-35-57-56(69-61-39-49(43-19-12-10-13-20-43)50(40-62(61)70-57)44-21-14-11-15-22-44)34-33-53-42(2)66-59-38-51(45-25-29-47(30-26-45)64(72)74-3)52(41-60(59)67-53)46-27-31-48(32-28-46)65(73)75-4/h10-17,19-36,38-41H,5-9,18,37H2,1-4H3/b34-33+,36-35+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2nc1/C=C/c1nc2cc(-c3ccc(C(=O)OC)cc3)c(-c3ccc(C(=O)OC)cc3)cc2nc1C
InChI Key	GTLCGGWORFMIIL-WXBFSDFVSA-N
Molecular Formula	C65H56N6O5
Exact Mass	1001.200 g/mol

Data and Resources

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Related Resources

This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000630
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000596.1
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000595
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000470
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000596
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000292.1
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000292
This dataset related as HasPart to https://dx.doi.org/10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000593
This dataset related as IsPartOf to https://dx.doi.org/10.14272/reaction/SA-FUHFF-UHFFFADPSC-GTLCGGWORF-UHFFFADPSC-NUHFF-NFWSN-NUHFF-ZZZ

Metadata Information

Field	Value
DOI
License URL
Source
Version
Author	Klein, Jérôme
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T14:10:53.191280
MetadataModified	2022-10-06T14:10:53.191284
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables