1,4-Bis[4-(trifluoromethyl)phenyl]-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone

SpectraBase Compound ID	7JyaowdOPre
InChI	InChI=1S/C29H13F9O5S/c30-27(31,32)16-9-5-14(6-10-16)20-13-21(43-44(41,42)29(36,37)38)22(15-7-11-17(12-8-15)28(33,34)35)24-23(20)25(39)18-3-1-2-4-19(18)26(24)40/h1-13H
InChIKey	IVHMQVWVKBDECR-UHFFFAOYSA-N Google Search
Mol Weight	644.46 g/mol
Molecular Formula	C29H13F9O5S
Exact Mass	644.033998 g/mol

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SpectraBase Spectrum ID	BO3T5DURVi
Name	1,4-Bis[4-(trifluoromethyl)phenyl]-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone
Alternate Name(s)	Trifluoromethanesulfonic acid [9,10-dioxo-1,4-bis[4-(trifluoromethyl)phenyl]-2-anthracenyl] ester [9,10-dioxo-1,4-bis[4-(trifluoromethyl)phenyl]anthracen-2-yl] trifluoromethanesulfonate [9,10-dioxo-1,4-bis[4-(trifluoromethyl)phenyl]-2-anthryl] trifluoromethanesulfonate [9,10-bis(oxidanylidene)-1,4-bis[4-(trifluoromethyl)phenyl]anthracen-2-yl] tris(fluoranyl)methanesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H13F9O5S
InChI	InChI=1S/C29H13F9O5S/c30-27(31,32)16-9-5-14(6-10-16)20-13-21(43-44(41,42)29(36,37)38)22(15-7-11-17(12-8-15)28(33,34)35)24-23(20)25(39)18-3-1-2-4-19(18)26(24)40/h1-13H
InChIKey	IVHMQVWVKBDECR-UHFFFAOYSA-N
Molecular Weight	644.464 g/mol
SMILES	C(S(Oc1c(c2C(c3ccccc3C(c2c(c1)-c1ccc(C(F)(F)F)cc1)=O)=O)-c1ccc(C(F)(F)F)cc1)(=O)=O)(F)(F)F
SPLASH	splash10-01ox-0000079000-6c3afd9e68297daf36ab
Source of Spectrum	U1-2011-2084-10a
Wiley ID	1665525