4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-dinitro-benzoic acid
Molecular Formula:
C
13
H
10
N
4
O
6
S
InChI:
InChI=1/C13H10N4O6S/c1-6-3-7(2)15-13(14-6)24-11-9(16(20)21)4-8(12(18)19)5-10(11)17(22)23/h3-5H,1-2H3,(H,18,19)/f/h18H
InChIKey:
InChIKey=FBFCXASHNNHALQ-GPQMBLKYCT
SMILES:
CC1=CC(=NC(=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C
Names:
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,5-dinitro-benzoic acid
Registries:
PubChem CID 4096087
PubChem ID 6016801