Benzoic acid, 2-[[[4-[[4-[(2-carboxybenzoyl)amino]phenyl]sulfonyl]phenyl]amino]carbonyl]-

SpectraBase Compound ID	9Q4ECA2Bm8m
InChI	InChI=1S/C28H20N2O8S/c31-25(21-5-1-3-7-23(21)27(33)34)29-17-9-13-19(14-10-17)39(37,38)20-15-11-18(12-16-20)30-26(32)22-6-2-4-8-24(22)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKey	HKXZKOBGWRJRFX-UHFFFAOYSA-N Google Search
Mol Weight	544.53 g/mol
Molecular Formula	C28H20N2O8S
Exact Mass	544.094037 g/mol

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SpectraBase Spectrum ID	IkvSgDTntFo
Name	Benzoic acid, 2-[[[4-[[4-[(2-carboxybenzoyl)amino]phenyl]sulfonyl]phenyl]amino]carbonyl]-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	544.094036778 u
Formula	C28H20N2O8S
InChI	InChI=1S/C28H20N2O8S/c31-25(21-5-1-3-7-23(21)27(33)34)29-17-9-13-19(14-10-17)39(37,38)20-15-11-18(12-16-20)30-26(32)22-6-2-4-8-24(22)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKey	HKXZKOBGWRJRFX-UHFFFAOYSA-N
Molecular Weight	544.534 g/mol
SMILES	N(C(C=1C(C(=O)O)=CC=CC1)=O)C=1C=CC(S(C=2C=CC(NC(C=3C(C(=O)O)=CC=CC3)=O)=CC2)(=O)=O)=CC1