1,1'-(ISOPROPYLIDENEDI-P-PHENYLENE) BIS[2-[[5-AMINO-3-METHYL-1-(3-SULPHOPHENYL)-1H-PYRAZOL-4-YL]AZO]BENZENESULPHONATE] SODIUM SALT

CAS No.
72828-69-4 ;83006-51-3
CCD No.
CCD08276080
Formula
C47 H40 N10 O12 S4 . 2 Na
MolWeight
1111.14

Basic Information

Product Name: 1,1'-(ISOPROPYLIDENEDI-P-PHENYLENE) BIS[2-[[5-AMINO-3-METHYL-1-(3-SULPHOPHENYL)-1H-PYRAZOL-4-YL]AZO]BENZENESULPHONATE] SODIUM SALT
CAS: 72828-69-4 ;83006-51-3
English Synonyms: DISODIUM 1,1'-ISOPROPYLIDENEDI-P-PHENYLENE BIS[2-[[5-AMINO-3-METHYL-1-(3-SULPHONATOPHENYL)-1H-PYRAZOL-4-YL]AZO]BENZENESULPHONATE] ; 1,1'-(ISOPROPYLIDENEDI-P-PHENYLENE) BIS[2-[[5-AMINO-3-METHYL-1-(3-SULPHOPHENYL)-1H-PYRAZOL-4-YL]AZO]BENZENESULPHONATE] SODIUM SALT
MDL Number.: MFCD23160579
H bond acceptor: 22
H bond donor: 2
Smile: Cc1c(c(n(n1)c2cccc(c2)S(=O)(=O)[O-])N)/N=N/c3ccccc3S(=O)(=O)Oc4ccc(cc4)C(C)(C)c5ccc(cc5)OS(=O)(=O)c6ccccc6/N=N/c7c(nn(c7N)c8cccc(c8)S(=O)(=O)[O-])C.[Na+].[Na+]
InChi: InChI=1S/C47H42N10O12S4.2Na/c1-29-43(45(48)56(54-29)33-11-9-13-37(27-33)70(58,59)60)52-50-39-15-5-7-17-41(39)72(64,65)68-35-23-19-31(20-24-35)47(3,4)32-21-25-36(26-22-32)69-73(66,67)42-18-8-6-16-40(42)51-53-44-30(2)55-57(46(44)49)34-12-10-14-38(28-34)71(61,62)63;;/h5-28H,48-49H2,1-4H3,(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b52-50+,53-51+;;
InChiKey: InChIKey=PLFLKJHTKWMLQU-KSNCYXERSA-L

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