ci 45380 ci 45380 17372-87-1

ci 45380 ci 45380

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iupac名称 IUPAC Name :disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate

INCHI InChI :INCHI InChI=1/C20H8br Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2

印地 Std.InChI: INCHI InChI=1S/C20H8br Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2

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INCHI基 InChIKey :SEACYXSIPDVVMV-NUQVWONBAJ

标准奇奇 Std.InChIKey: SEACYXSIPDVVMV-UHFFFAOYSA-L

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微笑 SMILES :C1= c =CC= c =C(C(= c =C1)C2= c =C3C= c =C(C(= o =O)C(= c =C3OC4= c =C(C(= c =C(C= c =C24)br Br)[o- O-])br Br)br Br)br Br)C(= o =O)[o- O-].[Na+].[Na+]

MDL : mfcd00005040 MFCD00005040