Bis-[1-amino-4-(4-toluidino)-anthraquinone-2-yl] sulphide

SpectraBase Compound ID	GePO2t9At8I
InChI	InChI=1S/C42H30N4O4S/c1-21-11-15-23(16-12-21)45-29-19-31(37(43)35-33(29)39(47)25-7-3-5-9-27(25)41(35)49)51-32-20-30(46-24-17-13-22(2)14-18-24)34-36(38(32)44)42(50)28-10-6-4-8-26(28)40(34)48/h3-20,45-46H,43-44H2,1-2H3
InChIKey	GYVAOLGHBCBROS-UHFFFAOYSA-N Google Search
Mol Weight	686.8 g/mol
Molecular Formula	C42H30N4O4S
Exact Mass	686.198777 g/mol

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SpectraBase Spectrum ID	L7AP1XYxMAA
Name	Bis-[1-amino-4-(4-toluidino)-anthraquinone-2-yl] sulphide
Alternate Name(s)	1-Amino-2-{[1-amino-9,10-dioxo-4-(4-toluidino)-9,10-dihydro-2-anthracenyl]sulfanyl}-4-(4-toluidino)anthra-9,10-quinone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H30N4O4S
InChI	InChI=1S/C42H30N4O4S/c1-21-11-15-23(16-12-21)45-29-19-31(37(43)35-33(29)39(47)25-7-3-5-9-27(25)41(35)49)51-32-20-30(46-24-17-13-22(2)14-18-24)34-36(38(32)44)42(50)28-10-6-4-8-26(28)40(34)48/h3-20,45-46H,43-44H2,1-2H3
InChIKey	GYVAOLGHBCBROS-UHFFFAOYSA-N
Molecular Weight	686.786 g/mol
SMILES	Nc1c2c(c(cc1Sc1cc(c3C(c4ccccc4C(c3c1N)=O)=O)Nc1ccc(cc1)C)Nc1ccc(cc1)C)C(c1c(C2=O)cccc1)=O
SPLASH	splash10-030r-0300209000-b3ad8f2f5efa97e8c6f3
Source of Spectrum	IC-1307-0-0
Wiley ID	1414559