Benzoic acid, 3,5-bis[4-(methoxycarbonyl)-2-nitrophenoxy]-, methyl ester

SpectraBase Compound ID	FaC6SAhHQ5f
InChI	InChI=1S/C24H18N2O12/c1-34-22(27)13-4-6-20(18(10-13)25(30)31)37-16-8-15(24(29)36-3)9-17(12-16)38-21-7-5-14(23(28)35-2)11-19(21)26(32)33/h4-12H,1-3H3
InChIKey	CTRQYPUDXVGDCD-UHFFFAOYSA-N Google Search
Mol Weight	526.41 g/mol
Molecular Formula	C24H18N2O12
Exact Mass	526.085974 g/mol

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SpectraBase Spectrum ID	8ymR0Judn3Z
Name	Benzoic acid, 3,5-bis[4-(methoxycarbonyl)-2-nitrophenoxy]-, methyl ester
Alternate Name(s)	Methyl 3,5-bis(4'-carbomethoxy-2'-nitrophenoxy)benzoate Methyl 4-{3-(methoxycarbonyl)-5-[4-(methoxycarbonyl)-2-nitrophenoxy]phenoxy}-3-nitrobenzoate
CAS Registry Number	74683-39-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H18N2O12
InChI	InChI=1S/C24H18N2O12/c1-34-22(27)13-4-6-20(18(10-13)25(30)31)37-16-8-15(24(29)36-3)9-17(12-16)38-21-7-5-14(23(28)35-2)11-19(21)26(32)33/h4-12H,1-3H3
InChIKey	CTRQYPUDXVGDCD-UHFFFAOYSA-N
Molecular Weight	526.410 g/mol
SMILES	c1(N(=O)=O)c(Oc2cc(Oc3c(N(=O)=O)cc(cc3)C(=O)OC)cc(c2)C(=O)OC)ccc(c1)C(=O)OC
SPLASH	splash10-01q9-8779010000-094171228dfb10ff2c69
Source of Spectrum	F-36-531-0
Wiley ID	1402766