2,6-DINITROTOLUENE-4-SULFONIC ACID

CAS No.
88-90-4
CCD No.
CCD00046899
Formula
C7 H6 N2 O7 S
MolWeight
262.197

Basic Information

Product Name: 2,6-DINITROTOLUENE-4-SULFONIC ACID
CAS: 88-90-4
English Synonyms: 3,5-DINITRO-4-METHYLBENZENESULFONIC ACID ; 4-METHYL-3,5-DINITROBENZENESULFONIC ACID ; 3,5-DINITRO-P-TOLUENESULFONIC ACID ; 2,6-DINITROTOLUENE-4-SULFONIC ACID
MDL Number.: MFCD00071768
H bond acceptor: 9
H bond donor: 1
Smile: Cc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]
InChi: InChI=1S/C7H6N2O7S/c1-4-6(8(10)11)2-5(17(14,15)16)3-7(4)9(12)13/h2-3H,1H3,(H,14,15,16)
InChiKey: InChIKey=SWBCSBNHMVLMKP-UHFFFAOYSA-N

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