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5-[3-carboxy-4-[2-(4-chlorophenyl)ethanoylamino]phenyl]-2-[2-(4-chlorophenyl)ethanoylamino]benzoic acid
SpectraBase Compound ID 5aTFSCrkHX2
InChI InChI=1S/C30H22Cl2N2O6/c31-21-7-1-17(2-8-21)13-27(35)33-25-11-5-19(15-23(25)29(37)38)20-6-12-26(24(16-20)30(39)40)34-28(36)14-18-3-9-22(32)10-4-18/h1-12,15-16H,13-14H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
InChIKey CGVAYILJGCHTGY-UHFFFAOYSA-N
Mol Weight 577.42 g/mol
Molecular Formula C30H22Cl2N2O6
Exact Mass 576.085492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASHDuMbjrxF
Name 5-[3-carboxy-4-[2-(4-chlorophenyl)ethanoylamino]phenyl]-2-[2-(4-chlorophenyl)ethanoylamino]benzoic acid
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Formula C30H22Cl2N2O6
InChI InChI=1S/C30H22Cl2N2O6/c31-21-7-1-17(2-8-21)13-27(35)33-25-11-5-19(15-23(25)29(37)38)20-6-12-26(24(16-20)30(39)40)34-28(36)14-18-3-9-22(32)10-4-18/h1-12,15-16H,13-14H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
InChIKey CGVAYILJGCHTGY-UHFFFAOYSA-N
Molecular Weight 577.420 g/mol
SMILES N(c1c(cc(-c2ccc(c(c2)C(=O)O)NC(=O)Cc2ccc(cc2)Cl)cc1)C(=O)O)C(=O)Cc1ccc(cc1)Cl
SPLASH splash10-004l-8910100000-a7ab44955356e382f8ab
Synonyms 5-[3-carboxy-4-[[2-(4-chlorophenyl)-1-oxoethyl]amino]phenyl]-2-[[2-(4-chlorophenyl)-1-oxoethyl]amino]benzoic acid 5-[3-carboxy-4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-2-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
Wiley ID 1436759