尾穗苋（c.i. 16185（na）） amaranth (c.i. 16185 (Na)) 915-67-3

尾穗苋（c.i. 16185（na）） amaranth (c.i. 16185 (Na))

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iupac名称 IUPAC Name :trisodium (4E)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate

INCHI InChI :INCHI InChI=1/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-19+;;;

印地 Std.InChI: INCHI InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-19+;;;

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INCHI基 InChIKey :VOBHRQFELWTZFS-DFZHHIFOAW

标准奇奇 Std.InChIKey: VOBHRQFELWTZFS-DXVNCNPQSA-K

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微笑 SMILES :C1=Cc = c C=C2C(=C1)C(=Cc = c C=C2S(= o =O)(= o =O)[o- O-])N/n = c N=C/3\C4=C(c = c C=C(c = c C=C4)S(= o =O)(= o =O)[o- O-])c = c C=C(C3= o =O)S(= o =O)(= o =O)[o- O-].[Na+].[Na+].[Na+]

MDL : mfcd00004076 MFCD00004076