1-[6-(3,6,7,10,11-Pentakis-decoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone

SpectraBase Compound ID	1M0muQqttud
InChI	InChI=1S/C88H130O9/c1-6-11-16-21-26-31-36-45-58-92-80-64-73-74-65-81(93-59-46-37-32-27-22-17-12-7-2)83(95-61-48-39-34-29-24-19-14-9-4)67-76(74)78-69-85(97-63-51-42-41-50-57-91-79-56-52-55-72-86(79)88(90)71-54-44-43-53-70(71)87(72)89)84(96-62-49-40-35-30-25-20-15-10-5)68-77(78)75(73)66-82(80)94-60-47-38-33-28-23-18-13-8-3/h43-44,52-56,64-69H,6-42,45-51,57-63H2,1-5H3
InChIKey	KYDOOTPUXLUYSH-UHFFFAOYSA-N Google Search
Mol Weight	1332.0 g/mol
Molecular Formula	C88H130O9
Exact Mass	1330.971486 g/mol

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SpectraBase Spectrum ID	4mhMOOj0jrH
Name	1-[6-(3,6,7,10,11-Pentakis-decoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1330.971485757 u
Formula	C88H130O9
InChI	InChI=1S/C88H130O9/c1-6-11-16-21-26-31-36-45-58-92-80-64-73-74-65-81(93-59-46-37-32-27-22-17-12-7-2)83(95-61-48-39-34-29-24-19-14-9-4)67-76(74)78-69-85(97-63-51-42-41-50-57-91-79-56-52-55-72-86(79)88(90)71-54-44-43-53-70(71)87(72)89)84(96-62-49-40-35-30-25-20-15-10-5)68-77(78)75(73)66-82(80)94-60-47-38-33-28-23-18-13-8-3/h43-44,52-56,64-69H,6-42,45-51,57-63H2,1-5H3
InChIKey	KYDOOTPUXLUYSH-UHFFFAOYSA-N
Molecular Weight	1331.999 g/mol
SMILES	C1(C=2C(=CC=CC2OCCCCCCOC=2C=C3C=4C(=CC(=C(C4)OCCCCCCCCCC)OCCCCCCCCCC)C=4C(C3=CC2OCCCCCCCCCC)=CC(=C(OCCCCCCCCCC)C4)OCCCCCCCCCC)C(C2=C1C=CC=C2)=O)=O