NCS
中国新化学物质查询
C.I.活性橙35(Trisodium 2-[(E)-{4-[(E)-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl )amino]-5-sulfonato-1-naphthyl}diazenyl]-2,5-dimethylphenyl}diaze nyl]-1,4-benzenedisulfonate)
CAS号: 12270-76-7
IUPAC名称: trisodium;2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate
分子式: C27H19ClN9Na3O9S3
分子量: 814.11200
InChI: InChI=1S/C27H22ClN9O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3
InChIKey: QODWDUXKFKJVCQ-UHFFFAOYSA-K
SMILES: CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=NC(=NC(=N5)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
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