2-[[6-[[6-anilino-4-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]-5-methoxyben
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Product Description
Product
2-[[6-[[6-anilino-4-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]-5-methoxyben
CAS
83399-95-5
Formula
C26H17FN7Na3O11S3; C26H20FN7O11S3.xNa
Typical Product Specifications
Molecular weight
787.62
EINECS
280-409-0
SMILES
COc1cc(c(cc1S(=O)(=O)[O-])/N=N/c2c(cc3cc(ccc3c2O)Nc4nc(nc(n4)F)Nc5ccccc5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI
VSDDLVKBXIWNQF-RCWDREBLSA-K
InChIKey
1S/C26H20FN7O11S3.3Na/c1-45-18-12-19(46(36,37)38)17(11-20(18)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(7-8-16(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-5-3-2-4-6-14;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q
Class
2-[[6-[[6-anilino-4-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]-5-methoxyben
Product Description
Product
2-[[6-[[6-anilino-4-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]-5-methoxyben
CAS
83399-95-5
Formula
C26H17FN7Na3O11S3; C26H20FN7O11S3.xNa
Typical Product Specifications
Molecular weight
787.62
EINECS
280-409-0
SMILES
COc1cc(c(cc1S(=O)(=O)[O-])/N=N/c2c(cc3cc(ccc3c2O)Nc4nc(nc(n4)F)Nc5ccccc5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI
VSDDLVKBXIWNQF-RCWDREBLSA-K
InChIKey
1S/C26H20FN7O11S3.3Na/c1-45-18-12-19(46(36,37)38)17(11-20(18)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(7-8-16(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-5-3-2-4-6-14;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q
Class
