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(1)2,3-Cresotinacid
SpectraBase Compound ID CO089U3YZ7t
InChI InChI=1S/C29H28N6O6S.2Na/c1-14-9-18(5-7-22(14)33-32-20-11-17(4)28(36)21(13-20)29(37)38)19-6-8-23(15(2)10-19)34-35-27-25(30)16(3)12-24(26(27)31)42(39,40)41;;/h5-13,36H,30-31H2,1-4H3,(H,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-32+,35-34+;;
InChIKey QZTLNYJDZDCTFN-NDRCTJIESA-L
Mol Weight 632.60253856 g/mol
Molecular Formula C29H26N6Na2O6S
Exact Mass 632.142992 g/mol
Parent InChIKey XOJDDWZZURHJSV-VPHDGDOJSA-L
Unknown Identification

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