basic_info |
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Product_Name: | TETRASODIUM N-[4-[[4-[[4-[[1-AMINO-8-HYDROXY-3,6-DISULPHONATO-7-[(4-SULPHONATOPHENYL)AZO]-2-NAPHTHYL]AZO]BENZOYL]AMINO]PHENYL]AZO]-3-HYDROXYPHENYL]GLYCINATE |
CAS: | 85750-09-0 |
EnglishSynonyms: | TETRASODIUM N-[4-[[4-[[4-[[1-AMINO-8-HYDROXY-3,6-DISULPHONATO-7-[(4-SULPHONATOPHENYL)AZO]-2-NAPHTHYL]AZO]BENZOYL]AMINO]PHENYL]AZO]-3-HYDROXYPHENYL]GLYCINATE |
pro_mdlNumber: | MFCD23160623 |
pro_acceptors: | 23 |
pro_donors: | 5 |
pro_smile: | c1cc(ccc1C(=O)Nc2ccc(cc2)/N=N/c3ccc(cc3O)NCC(=O)[O-])/N=N/c4c(cc5c(c4N)c(cc(c5/N=N/c6ccc(cc6)S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C37H29N9O14S3.4Na/c38-34-33-26(35(31(17-29(33)48)63(58,59)60)45-42-23-9-12-25(13-10-23)61(52,53)54)16-30(62(55,56)57)36(34)46-43-21-3-1-19(2-4-21)37(51)40-20-5-7-22(8-6-20)41-44-27-14-11-24(15-28(27)47)39-18-32(49)50;;;;/h1-17,39,47-48H,18,38H2,(H,40,51)(H,49,50)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/b44-41+,45-42+,46-43+;;;; |
InChiKey: | InChIKey=ALVXEANGCYQTBS-KZZCKNBQSA-J |
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