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

SpectraBase Compound ID	CwJ1JppTIpF
InChI	InChI=1S/C63H80O9/c1-6-11-20-32-67-55-39-48-49-40-56(68-33-21-12-7-2)58(70-35-23-14-9-4)42-51(49)53-44-60(59(71-36-24-15-10-5)43-52(53)50(48)41-57(55)69-34-22-13-8-3)72-38-26-17-16-25-37-66-54-31-27-30-47-61(54)63(65)46-29-19-18-28-45(46)62(47)64/h18-19,27-31,39-44H,6-17,20-26,32-38H2,1-5H3
InChIKey	BQFNYPVQWCBVNG-UHFFFAOYSA-N Google Search
Mol Weight	981.3 g/mol
Molecular Formula	C63H80O9
Exact Mass	980.580234 g/mol

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SpectraBase Spectrum ID	u8GNJwiT9b
Name	1-[6-(3,6,7,10,11-Pentaamoxytriphenylen-2-yl)oxyhexoxy]-9,10-anthraquinone
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	980.580234147 u
Formula	C63H80O9
InChI	InChI=1S/C63H80O9/c1-6-11-20-32-67-55-39-48-49-40-56(68-33-21-12-7-2)58(70-35-23-14-9-4)42-51(49)53-44-60(59(71-36-24-15-10-5)43-52(53)50(48)41-57(55)69-34-22-13-8-3)72-38-26-17-16-25-37-66-54-31-27-30-47-61(54)63(65)46-29-19-18-28-45(46)62(47)64/h18-19,27-31,39-44H,6-17,20-26,32-38H2,1-5H3
InChIKey	BQFNYPVQWCBVNG-UHFFFAOYSA-N
Molecular Weight	981.324 g/mol
SMILES	C1(C=2C(=CC=CC2OCCCCCCOC=2C=C3C=4C(=CC(=C(C4)OCCCCC)OCCCCC)C=4C(C3=CC2OCCCCC)=CC(=C(OCCCCC)C4)OCCCCC)C(C2=C1C=CC=C2)=O)=O