Benzoic acid, 5-(6-amino-1,3-dioxo-5-sulfo-1H-benz[de]isoquinolin-2(3H)-2-hydroxy-, monosodium salt

SpectraBase Compound ID	JlMV6Qu73dr
InChI	InChI=1S/C19H12N2O8S.Na/c20-16-9-2-1-3-10-15(9)12(7-14(16)30(27,28)29)18(24)21(17(10)23)8-4-5-13(22)11(6-8)19(25)26;/h1-7,22H,20H2,(H,25,26)(H,27,28,29);/q;+1/p-1
InChIKey	MLDJUZINWKFMOV-UHFFFAOYSA-M Google Search
Mol Weight	450.35276928 g/mol
Molecular Formula	C19H11N2NaO8S
Exact Mass	450.013381 g/mol

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SpectraBase Spectrum ID	5UFmVzj8sEe
Name	Benzoic acid, 5-(6-amino-1,3-dioxo-5-sulfo-1H-benz[de]isoquinolin-2(3H)-2-hydroxy-, monosodium salt
CAS Registry Number	6486-77-7
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C19H11N2NaO8S
InChI	InChI=1S/C19H12N2O8S.Na/c20-16-9-2-1-3-10-15(9)12(7-14(16)30(27,28)29)18(24)21(17(10)23)8-4-5-13(22)11(6-8)19(25)26;/h1-7,22H,20H2,(H,25,26)(H,27,28,29);/q;+1/p-1
InChIKey	MLDJUZINWKFMOV-UHFFFAOYSA-M
Instrument Name	Bruker IFS 85
Synonyms	Condensation product of 4-amino-3-sulfo-phthalacid anhydride with 5-aminosalicyl acid
Technique	KBr-Pellet