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4-[5-[2-(4-carboxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid
SpectraBase Compound ID Ifdjy2rjh4X
InChI InChI=1S/C31H16N2O9/c34-25(17-5-11-21-23(13-17)28(37)32(26(21)35)19-7-1-15(2-8-19)30(39)40)18-6-12-22-24(14-18)29(38)33(27(22)36)20-9-3-16(4-10-20)31(41)42/h1-14H,(H,39,40)(H,41,42)
InChIKey SZSLBMJOAGIDNE-UHFFFAOYSA-N
Mol Weight 560.47 g/mol
Molecular Formula C31H16N2O9
Exact Mass 560.08558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uIqkyfKgzM
Name 4-[5-[2-(4-carboxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid
Alternate Name(s) 4-[5-[2-(4-carboxyphenyl)-1,3-diketo-isoindoline-5-carbonyl]-1,3-diketo-isoindolin-2-yl]benzoic acid 4-[5-[2-(4-carboxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]benzoic acid 4-[5-[2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzoic acid 4-[5-[[2-(4-carboxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid
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Formula C31H16N2O9
InChI InChI=1S/C31H16N2O9/c34-25(17-5-11-21-23(13-17)28(37)32(26(21)35)19-7-1-15(2-8-19)30(39)40)18-6-12-22-24(14-18)29(38)33(27(22)36)20-9-3-16(4-10-20)31(41)42/h1-14H,(H,39,40)(H,41,42)
InChIKey SZSLBMJOAGIDNE-UHFFFAOYSA-N
Molecular Weight 560.474 g/mol
SMILES OC(c1ccc(N2C(c3c(ccc(C(c4ccc5C(N(c6ccc(C(=O)O)cc6)C(c5c4)=O)=O)=O)c3)C2=O)=O)cc1)=O
SPLASH splash10-0fbc-9620000000-8e886cb12e444fadc10c
Wiley ID 1466897