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| CAS No.: | 70833-36-2 |
|---|---|
| Name: | Chromate(4-), [2-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]phenyl]amino]-5-nitrobenzenesulfonato(3-)][2-[[2,6-dihydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phe |
| Molecular Structure: | |
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| Formula: | C60H32CrN22Na3O31S3 |
| Molecular Weight: | 1774.19 |
| Synonyms: | Chromate(4-),[2-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]phenyl]amino]-5-nitrobenzenesulfonato(3-)][2-[[2,6-dihydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-5-nitrobenzenesulfonato(4-)]-,trisodium hydrogen (9CI);Benzenesulfonic acid,2-[[2,6-dihydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-5-nitro-,chromium complex;Benzenesulfonic acid,2-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]phenyl]amino]-5-nitro-,chromium complex; |
| EINECS: | 274-915-0 |
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- Total:4 Page 1 of 1 1
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Specification
This chemical is called Chromate(4-),[2-[[4-[2-[2-hydroxy-4-(hydroxy-kO)-5-[2-[2-(hydroxy-kO)-3,5-dinitrophenyl]diazenyl-kN1]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]-5-nitrobenzenesulfonato(3-)][2-[2-[2-(hydroxy-kO)-6-hydroxy-3-[2-[2-(hydroxy-kO)-3,5-dinitrophenyl]diazenyl-kN1]-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-5-nitrobenzenesulfonato(4-)]-,sodium hydrogen (1:3:1), and its CAS registry number is 70833-36-2. With the molecular formula of C60H32CrN22Na3O31S3, its molecular weight is 1774.19.
Other characteristics of the Chromate(4-),[2-[[4-[2-[2-hydroxy-4-(hydroxy-kO)-5-[2-[2-(hydroxy-kO)-3,5-dinitrophenyl]diazenyl-kN1]-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]-5-nitrobenzenesulfonato(3-)][2-[2-[2-(hydroxy-kO)-6-hydroxy-3-[2-[2-(hydroxy-kO)-3,5-dinitrophenyl]diazenyl-kN1]-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-5-nitrobenzenesulfonato(4-)]-,sodium hydrogen (1:3:1) can be summarised as followings: (1)H-Bond Donor: 4; (2)H-Bond Acceptor: 45; (3)Rotatable Bond Count: 16; (4)Tautomer Count:165; (5)Exact Mass: 1772.986415; (6)MonoIsotopic Mass: 1772.986415; (7)Topological Polar Surface Area: 868; (8)Heavy Atom Count: 120; (9)Formal Charge: 0; (10)Complexity: 3430; (11)Isotope Atom Count: 0; (12)Covalently-Bonded Unit Count: 7.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C30H19N11O17S2.C30H19N11O14S.Cr.3Na/c42-28-20(10-18(39(47)48)11-24(28)41(51)52)35-36-22-13-21(29(43)27(30(22)44)37-33-16-5-8-23(40(49)50)26(9-16)60(56,57)58)34-32-15-3-1-14(2-4-15)31-19-7-6-17(38(45)46)12-25(19)59(53,54)55;42-28-22(11-20(40(49)50)12-25(28)41(51)52)35-36-24-14-23(29(43)27(30(24)44)37-33-17-5-7-18(8-6-17)38(45)46)34-32-16-3-1-15(2-4-16)31-21-10-9-19(39(47)48)13-26(21)56(53,54)55;;;;/h1-13,31,42-44H,(H,53,54,55)(H,56,57,58);1-14,31,42-44H,(H,53,54,55);;;;/q;;+3;3*+1/p-6/b2*34-32+,36-35+,37-33+;;;;
2.Smiles: [O-]c1c(c(c(\N=N\c2ccc(cc2)Nc2c(cc(cc2)[N+]([O-])=O)S([O-])(=O)=O)cc1\N=N\c1c(c(cc([N+]([O-])=O)c1)[N+]([O-])=O)[O-])O)\N=N\c1ccc(cc1)[N+]([O-])=O.[Cr+3].[Na+].c1(S([O-])(=O)=O)c(ccc(\N=N\c2c(c(cc(c2[O-])\N=N\c2cc(cc(c2[O-])[N+]([O-])=O)[N+]([O-])=O)\N=N\c2ccc(cc2)Nc2c(cc(cc2)[N+]([O-])=O)S([O-])(=O)=O)O)c1)[N+]([O-])=O.[Na+].[Na+]